SCHEMBL643094

SCHEMBL643094

CC(C)COC(=O)NC1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.48
POLB P06746 1/20 0.44
HSD11B1 P28845 1/20 0.44
DRD2 P14416 2/20 0.43
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
HTR4 Q13639 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 1/20 0.36
SMYD3 Q9H7B4 2/20 0.35
SSTR1 P30872 1/20 0.35
SSTR4 P31391 1/20 0.35

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
SCHEMBL4061175 0.90 HSD11B1 (0.43) EPHX1POLBHSD11B1DRD2GNAI3
SCHEMBL14919674 0.88 DRD2 (0.50) EPHX1HSD11B1DRD2HTR1AHTR2A
SCHEMBL9653152 0.84 EPHX1 (0.46) EPHX1POLBHSD11B1GNAI3GNAO1
SCHEMBL19086770 0.83 EPHX1 (0.48) EPHX1POLBHSD11B1GNAI3GNAO1
SCHEMBL15226075 0.83 EPHX1 (0.55) EPHX1HSD11B1SMN1; SMN2EPHX2
SCHEMBL3835430 0.83 HSD11B1 (0.43) EPHX1HSD11B1DRD2HTR1AHTR2A
SCHEMBL1693037 0.82 DRD2 (0.50) EPHX1HSD11B1DRD2HTR1AHTR2A
SCHEMBL966144 0.81 MAPK1 (0.44) EPHX1HSD11B1DRD2SMN1; SMN2
SCHEMBL19570445 0.81 HSD11B1 (0.44) EPHX1POLBHSD11B1DRD2HTR1A
SCHEMBL883979 0.81 EPHX1 (0.53) EPHX1POLBHSD11B1DRD2GNAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883781-B2 Thienopyrimidines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-11 US disclosed
US-8372843-B2 Quinolines useful as modulators of ION channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-8329702-B2 Heterocycles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-11 US disclosed
EP-2496557-A1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE GlaxoSmithKline LLC (US) 2012-09-12 EP disclosed
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
EP-2352734-A1 TRICYCLIC NITROGEN COMPOUNDS USED AS ANTIBACTERIALS Glaxo Group Limited (GB) 2011-08-10 EP disclosed
WO-2011054841-A1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
US-20110059984-A1 HETEROCYCLES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-7880008-B2 Such as 4-(-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate and 4-(thiazol-2-yl)piperazine-1-carboxylate derivatives; antiinflammatory, anticarcinogenic, antiepileptic, antiarthritic, and analgesic agents; neurodegenerative and muscular disorders; sodium and calcium channel modulators; diabetes, headaches VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US disclosed
EP-1583537-A3 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
EP-1583537-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-10-12 EP disclosed
US-20050197333-A1 Rifamycin analogs and uses thereof ACTIVBIOTICS PHARMA LLC 2005-09-08 US disclosed
WO-2005062882-A2 RIFAMYCIN ANALOGS AND USES THEREOF ACTIVBIOTICS, INC (US) 2005-07-14 WO disclosed
WO-2005020894-A2 RIFAMYCIN ANALOGS AND USES THEREOF ACTIVBIOTICS, INC. (US) 2005-03-10 WO disclosed
US-20050043298-A1 Rifamycin analogs and uses thereof ACTIVBIOTICS PHARMA LLC 2005-02-24 US disclosed
WO-2004087145-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-10-14 WO disclosed
WO-2004002490-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2004-01-08 WO disclosed
EP-0467325-A2 Carbostyril derivatives SYNTEX (U.S.A.) INC. (US) 1992-01-22 EP disclosed
US-5082847-A Antiarrhythmia SYNTEX (U.S.A.) INC. (US) 1992-01-21 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 (4 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-20050197333-A1 Rifamycin analogs and uses thereof RIF1, HDAC5, AADAC EPHX1 2641/4885POLB 1001/4885HSD11B1 1138/4885
US-20050043298-A1 Rifamycin analogs and uses thereof RIF1, HDAC5, AADAC EPHX1 2641/4885POLB 1001/4885HSD11B1 1138/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 EPHX1 826/4885POLB 1108/4885HSD11B1 1919/4885
US-20110059984-A1 HETEROCYCLES USEFUL AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 EPHX1 1288/4885POLB 4597/4885HSD11B1 4484/4885

“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.