SCHEMBL7006650

SCHEMBL7006650

COc1cc2c(cc1OC)CN(C(C)=O)CC2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.65
KMT2A Q03164 5/20 0.63
MEN1 O00255 4/20 0.63
HRH3 Q9Y5N1 1/20 0.62
KDM4E B2RXH2 3/20 0.60
HSD17B10 Q99714 3/20 0.60
ALOX15 P16050 1/20 0.60
NPC1 O15118 1/20 0.60
THRB P10828 1/20 0.60
MAPT P10636 2/20 0.59
ALDH1A1 P00352 2/20 0.59
GAA P10253 1/20 0.59
MDM2 Q00987 1/20 0.59
NPSR1 Q6W5P4 1/20 0.58
ATM Q13315 1/20 0.58
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
SLC6A4 P31645 1/20 0.57
TSHR P16473 1/20 0.56
CA1 P00915 1/20 0.56

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
SCHEMBL19002254 0.91 MAPK1 (0.57) MAPK1KMT2AMEN1HRH3KDM4E
SCHEMBL3504393 0.91 MAPK1 (0.56) MAPK1KMT2AMEN1HRH3KDM4E
SCHEMBL9669207 0.91 MAPK1 (0.56) MAPK1KMT2AMEN1HRH3KDM4E
SCHEMBL13310355 0.91 MAPK1 (0.56) MAPK1KMT2AMEN1HRH3KDM4E
SCHEMBL22782306 0.90 MAPT (0.70) MAPK1KMT2AMEN1HRH3KDM4E
SCHEMBL17197259 0.90 MAPK1 (0.54) MAPK1KMT2AMEN1HRH3KDM4E
SCHEMBL17197305 0.90 MAPK1 (0.54) MAPK1KMT2AMEN1HRH3KDM4E
SCHEMBL31316090 0.90 MAPK1 (0.54) MAPK1KMT2AMEN1HRH3KDM4E
SCHEMBL16284216 0.88 ABHD6 (0.55) MAPK1KMT2AMEN1HRH3KDM4E
SCHEMBL2873071 0.87 MAPK1 (0.65) MAPK1KMT2AMEN1HRH3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018371-B1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2015-03-04 EP disclosed
EP-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP disclosed
EP-2543390-A1 Pharmaceutical composition Kyowa Hakko Kirin Co., Ltd. (JP) 2013-01-09 EP disclosed
US-20110112099-A1 THERAPEUTIC AGENT FOR CANCER RESISTANT TO PROTEASE INHIBITOR KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-05-12 US disclosed
US-20110112099-A1 THERAPEUTIC AGENT FOR CANCER RESISTANT TO PROTEASE INHIBITOR KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-05-12 US disclosed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
US-20100098690-A1 PHARMACEUTICAL COMPOSITION KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-04-22 US disclosed
US-20100098690-A1 PHARMACEUTICAL COMPOSITION KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-04-22 US disclosed
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-10-01 US disclosed
US-6521629-B2 2-amine substituted quinoline or quinozoline derivatives useful for treating benign prostatic hyperplasia PFIZER INC. 2003-02-18 US disclosed
US-6492387-B2 ADMINISTERED AS AN ANTICONVULSANT AGENT, ANTIEPILEPTIC AGENT, NEUROPROTECTIVE AGENT, MUSCLE RELAXANT AGENT AND AGENT FOR THE TREATMENT OF NEUROPATHIC PAIN. ORTHO-MCNEIL PHARAMACEUTICAL, INC. 2002-12-10 US disclosed
CN-1093858-C Quinoline and quinazoline compounds for the treatment, in particular for the treatment of benign prostatic hyperplasia PFIZER LTD (US) 2002-11-06 CN disclosed
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy FOX DAVID NATHAN ABRAHAM (GB) 2002-04-04 US disclosed
US-6365599-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA PFIZER, INC. 2002-04-02 US disclosed
US-6169093-B1 FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER INC. 2001-01-02 US disclosed
CN-1243513-A Quinoline and quinazoline compounds for the treatment, in particular for the treatment of benign prostatic hyperplasia PFIZER LTD (US) 2000-02-02 CN disclosed
EP-0968208-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA Pfizer Limited (GB) 2000-01-05 EP disclosed
WO-1998030560-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BEGNIN PROSTATIC HYPERPLASIA PFIZER LIMITED (GB) 1998-07-16 WO disclosed
US-5610174-A Use of α1A -selective adrenoceptor agonists for the treatment of urinary incontinence SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-03-11 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-20110112099-A1 THERAPEUTIC AGENT FOR CANCER RESISTANT TO PROTEASE INHIBITOR HSP90B1, HSP90AB1, HEATR1 MAPK1 1287/4885KMT2A 2657/4885MEN1 4370/4885
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy BPHL, LPXN, NQO2 MAPK1 1765/4885KMT2A 2248/4885MEN1 92/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P MAPK1 708/4885KMT2A 3681/4885MEN1 4773/4885
US-20100098690-A1 PHARMACEUTICAL COMPOSITION HSP90B1, HSP90AB1, HSP90AB2P MAPK1 3337/4885KMT2A 4208/4885MEN1 4771/4885

“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.