SCHEMBL2625555

SCHEMBL2625555

CC(C)NC(=O)NC1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 13/20 0.67
ALDH1A1 P00352 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
EPHX2 P34913 2/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
KDM4E B2RXH2 1/20 0.62
CYP3A4 P08684 1/20 0.62
LMNA P02545 2/20 0.57
ATM Q13315 1/20 0.56
GLA P06280 1/20 0.54
HPGD P15428 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8250809 0.98 EPHX1 (0.70) EPHX1ALDH1A1SMN1; SMN2EPHX2NPC1
SCHEMBL2625559 0.95 EPHX1 (0.61) EPHX1ALDH1A1SMN1; SMN2EPHX2NPC1
SCHEMBL15262638 0.93 EPHX1 (0.58) EPHX1ALDH1A1SMN1; SMN2EPHX2NPC1
SCHEMBL2625568 0.93 EPHX1 (0.58) EPHX1ALDH1A1SMN1; SMN2EPHX2NPC1
SCHEMBL23573334 0.85 ALDH1A1 (0.56) EPHX1ALDH1A1SMN1; SMN2EPHX2NPC1
SCHEMBL14654896 0.85 EPHX1 (0.66) EPHX1ALDH1A1SMN1; SMN2EPHX2NPC1
SCHEMBL23573335 0.85 ALDH1A1 (0.56) EPHX1ALDH1A1SMN1; SMN2EPHX2NPC1
SCHEMBL13127983 0.85 EPHX1 (0.61) EPHX1ALDH1A1SMN1; SMN2EPHX2NPC1
SCHEMBL12521938 0.85 EPHX2 (0.65) EPHX1ALDH1A1SMN1; SMN2EPHX2NPC1
SCHEMBL9223932 0.84 EPHX1 (0.67) EPHX1ALDH1A1SMN1; SMN2EPHX2NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same UNIVERSITY OF MIAMI (US) 2023-05-16 US disclosed
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same UNIVERSITY OF MIAMI (US) 2023-05-16 US disclosed
US-20210171469-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME UNIVERSITY OF MIAMI 2021-06-10 US disclosed
US-10323061-B2 Heteroaryl containing bile acid analogs as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-06-18 US disclosed
US-9944633-B2 Compounds and methods for the treatment of isocitrate dehydrogenase related diseases THE BROAD INSTITUTE, INC. (US) 2018-04-17 US disclosed
US-20170240587-A1 HETEROARYL CONTAINING BILE ACID ANALOGS AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2017-08-24 US disclosed
US-9738655-B2 Tetrahydroisoquinolines containing substituted azoles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 US disclosed
US-9433626-B2 Pyrido[4,3-B]indole and pyrido[3,4-B]indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-06 US disclosed
US-9434747-B2 Methods of treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-06 US disclosed
US-7384962-B2 Heterocyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2008-06-10 US disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 US disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 US disclosed
EP-1453804-B1 CCR-3 RECEPTOR ANTAGONISTS VII HOFFMANN LA ROCHE (CH) 2007-08-22 EP disclosed
US-7223789-B2 Heterocyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2007-05-29 US disclosed
US-7223789-B2 Heterocyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2007-05-29 US disclosed
US-20070105855-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-05-10 US disclosed
US-20070105855-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-05-10 US disclosed
US-20070105854-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-05-10 US disclosed
US-20060293342-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2006-12-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070105854-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PDE4A, PDE4B, PDE12 EPHX1 519/4885ALDH1A1 636/4885SMN1; SMN2 2696/4885
US-20060293342-A1 Tie-2 modulators and methods of use TIE1, TEK, KDR EPHX1 1178/4885ALDH1A1 3053/4885SMN1; SMN2 3129/4885
US-20070105855-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PDE4A, PDE4B, PDE12 EPHX1 519/4885ALDH1A1 636/4885SMN1; SMN2 2696/4885
US-20210171469-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME CHUK, NOTCH1, NUAK1 EPHX1 4113/4885ALDH1A1 3741/4885SMN1; SMN2 4761/4885
US-20070197628-A1 Cannabinoid receptor modulators CNR1, CNR2, GPR18 EPHX1 1254/4885ALDH1A1 1999/4885SMN1; SMN2 2106/4885
US-20170240587-A1 HETEROARYL CONTAINING BILE ACID ANALOGS AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 EPHX1 835/4885ALDH1A1 2323/4885SMN1; SMN2 4822/4885
US-10323061-B2 Heteroaryl containing bile acid analogs as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 EPHX1 835/4885ALDH1A1 2323/4885SMN1; SMN2 4822/4885
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same NOTCH1, CHUK, CBFB EPHX1 3729/4885ALDH1A1 3517/4885SMN1; SMN2 4745/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.