SCHEMBL6945688

SCHEMBL6945688

O=C1CCN(CCOc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.61
KCNA5 P22460 2/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TMEM97 Q5BJF2 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
TDP1 Q9NUW8 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
SCHEMBL8114904 1.00 LTA4H (0.61) LTA4HKCNA5NPC1RAB9AMEN1
SCHEMBL6946206 0.92 KDM4E (0.65) TMEM97SIGMAR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3886790 0.90 KDM4E (0.59) TMEM97SIGMAR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5635479 0.90 NPC1 (0.55) LTA4HKCNA5NPC1RAB9AMEN1
SCHEMBL19025236 0.83 LTA4H (0.65) LTA4HKCNA5RAB9AKDM4ESMN1; SMN2
SCHEMBL7400087 0.83 LTA4H (0.65) LTA4HKCNA5NPC1RAB9AMEN1
SCHEMBL10696776 0.83 HRH3 (0.56) KCNA5ALDH1A1HRH3
SCHEMBL255201 0.82 LTA4H (0.86) LTA4HMEN1KMT2AKDM4EALDH1A1
Oxalic Acid SCHEMBL10698242 0.81 KCNA5 (0.60) KCNA5MEN1KMT2AKDM4EALDH1A1
SCHEMBL3951411 0.80 LTA4H (0.83) LTA4HKDM4EALDH1A1SMN1; SMN2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3397616-B1 LSD1 INHIBITORS MIRATI THERAPEUTICS INC (US) 2020-06-10 EP disclosed
EP-3397616-B1 LSD1 INHIBITORS MIRATI THERAPEUTICS INC (US) 2020-06-10 EP disclosed
US-10233152-B2 LSD1 inhibitors Mirati Therapeutics, Inc. (US) 2019-03-19 US disclosed
US-10233152-B2 LSD1 inhibitors Mirati Therapeutics, Inc. (US) 2019-03-19 US disclosed
EP-3397616-A1 LSD1 INHIBITORS Mirati Therapeutics, Inc. (US) 2018-11-07 EP disclosed
US-20180127369-A1 LSD1 Inhibitors Mirati Therapeutics, Inc. 2018-05-10 US disclosed
US-20180127369-A1 LSD1 Inhibitors Mirati Therapeutics, Inc. 2018-05-10 US disclosed
US-9809541-B2 LSD1 inhibitors Mirati Therapeutics, Inc. (US) 2017-11-07 US disclosed
US-9809541-B2 LSD1 inhibitors Mirati Therapeutics, Inc. (US) 2017-11-07 US disclosed
WO-2017116558-A1 LSD1 INHIBITORS Mirati Therapeutics, Inc. (US) 2017-07-06 WO disclosed
US-6642231-B2 Antineoplastic agents, treatment for neuronal injury and degeneration AVENTIS PHARMACEUTICALS INC. 2003-11-04 US disclosed
EP-1056744-B1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMA INC (US) 2003-10-22 EP disclosed
US-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AVENTISUB II INC. 2003-06-05 US disclosed
US-6479487-B1 INHIBIT CYCLIN DEPENDENT KINASES, PARTICULARLY CDK-2; ANTIAPOPTOSIS AGENT; INHIBITS DEVELOPMENT OF NEOPLASMS AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
EP-1056744-A1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 EP disclosed
WO-1999043675-A1 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 WO disclosed
US-5760035-A PIPERIDINE COMPOUNDS SUBSTITUTED WITH AN AMINOALKYL GROUP AND AN ARYLOXYALKYL GROUP, ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, IMMUNOSUPPRESSANTS KNOLL AKTIENGESELLSCHAFT (DE) 1998-06-02 US disclosed
EP-0720602-B1 4-ALKYLAMINO-1-PHENOXYALKYL PIPERIDINES AS ANTIINFLAMMATORY, ANTIALLERGIC AND IMMUNOMODULATING AGENTS KNOLL AG (DE) 1997-07-09 EP disclosed
EP-0720602-A1 4-ALKYLAMINO-1-PHENOXYALKYL PIPERIDINES AS ANTIINFLAMMATORY, ANTIALLERGIC AND IMMUNOMODULATING AGENTS KNOLL AG (DE) 1996-07-10 EP disclosed
WO-1995008535-A1 4-ALKYLAMINO-1-PHENOXYALKYL PIPERIDINES AS ANTIINFLAMMATORY, ANTIALLERGIC AND IMMUNOMODULATING AGENTS KNOLL AG (DE) 1995-03-30 WO 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 (3 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-10233152-B2 LSD1 inhibitors KDM1B, KDM1A, KDM3A LTA4H 2847/4885KCNA5 2407/4885NPC1 1310/4885
US-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines CDK6, CDK5, CDK2 LTA4H 2750/4885KCNA5 4176/4885NPC1 4697/4885
US-20180127369-A1 LSD1 Inhibitors KDM1B, KDM1A, KDM3A LTA4H 2847/4885KCNA5 2407/4885NPC1 1310/4885

“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.