SCHEMBL806512

SCHEMBL806512

COc1ccc2cc(C)ccc2c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
ACHE P22303 1/20 0.50
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 2/20 0.46
HPGD P15428 5/20 0.44
L3MBTL1 Q9Y468 5/20 0.44
MAPT P10636 4/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL806298 0.87 ACHE (0.52) CYP19A1CYP11B1CYP11B2ACHEALDH1A1
SCHEMBL28168331 0.81 CYP11B1 (0.52) CYP19A1CYP11B1CYP11B2ALDH1A1CYP3A4
SCHEMBL29350013 0.81 MAPT (0.57) ACHEALDH1A1CYP3A4HPGDL3MBTL1
SCHEMBL806517 0.81 ACHE (0.54) ACHEALDH1A1CYP3A4HPGDL3MBTL1
SCHEMBL13772010 0.81 MAPT (0.57) ACHEALDH1A1CYP3A4HPGDL3MBTL1
SCHEMBL13781592 0.80 NCEH1 (0.60) CYP19A1CYP11B1CYP11B2ALDH1A1L3MBTL1
SCHEMBL11075536 0.80 CYP11B1 (0.51) CYP19A1CYP11B1CYP11B2CYP3A4SLC6A2
SCHEMBL16937930 0.78 NCEH1 (0.39) CYP19A1CYP11B1CYP11B2ACHEALDH1A1
SCHEMBL12433142 0.78 MAPT (0.47) ALDH1A1CYP3A4HPGDL3MBTL1MAPT
SCHEMBL14279013 0.78 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2ACHEALDH1A1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
EP-2616460-B1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. OTSUKA PHARMA CO LTD (JP) 2015-10-28 EP disclosed
US-9090572-B2 Substituted quinoxalines compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-28 US disclosed
US-9090572-B2 Substituted quinoxalines compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-28 US disclosed
EP-2570409-B1 ARALKYL DIAMINE DERIVATIVES AND USES THEREOF AS ANTIDEPRESSANT SHANGHAI INST PHARM INDUSTRY (CN) 2015-07-08 EP disclosed
US-8962621-B2 Aralkyl diamine derivatives and uses thereof as antidepressants SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2015-02-24 US disclosed
EP-2305644-B1 ARALKYL ALCOHOL PIPERIDINE DERIVATIVE AND THE USE AS MEDICAMENT FOR TREATING DEPRESSION JIANGSU HENGYI PHARMACEUTICAL CO LTD (CN) 2014-08-27 EP disclosed
US-20130261081-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMACEUTICAL CO., LTD (JP) 2013-10-03 US disclosed
WO-2013137479-A1 DECAHYDROQUINOXALINE DERIVATIVES AND ANALOGS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-09-19 WO disclosed
US-20130072488-A1 ARALKYL DIAMINE DERIVATIVES AND USES THEREOF AS ANTIDEPRESSANTS SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2013-03-21 US disclosed
EP-2570409-A1 ARALKYL DIAMINE DERIVATIVES AND USES THEREOF AS ANTIDEPRESSANT Shanghai Institute of Pharmaceutical Industry (CN) 2013-03-20 EP disclosed
WO-2012036253-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-22 WO disclosed
WO-2011140998-A1 ARALKYL DIAMINE DERIVATIVES AND USES THEREOF AS ANTIDEPRESSANT 上海医药工业研究院 (CN) 2011-11-17 WO disclosed
US-20110160247-A1 Aralkyl alcohol piperidine derivative and the use thereof as a medicament for treating depression JIANGSU GOWORTH INVESTMENT CO. LTD (CN) 2011-06-30 US disclosed
US-20110160247-A1 Aralkyl alcohol piperidine derivative and the use thereof as a medicament for treating depression JIANGSU GOWORTH INVESTMENT CO. LTD (CN) 2011-06-30 US disclosed
EP-2305644-A1 ARALKYL ALCOHOL PIPERIDINE DERIVATIVE AND THE USE AS MEDICAMENT FOR TREATING DEPRESSION THEREOF Jiangsu Goworth Investment Co. Ltd (CN) 2011-04-06 EP disclosed
US-7576086-B2 N1-benzyl-N4-(phenylpropane-2-yl-3-ol)piperazine; triple action on hydroxytryptamine (5-HT), noradrenalin (NA)and dopamine(DA); on brain synapses; cytochrome P-450 monooxygenase enzyme system antagonists; enzyme inhibitors; side effect reduction SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2009-08-18 US disclosed
US-7332495-B2 Aralkyl-ketone piperazine derivatives and their uses as new antalgic or ataractic agent NHWA PHARMA. CORPORATION (CN) 2008-02-19 US disclosed
US-7326710-B2 Aralkyl formyl-alkyl piperazine derivatives and their uses as a cerebral nerve protective agent SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2008-02-05 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-20130072488-A1 ARALKYL DIAMINE DERIVATIVES AND USES THEREOF AS ANTIDEPRESSANTS MAOA, SLC6A2, MAOB CYP19A1 1254/4885CYP11B1 2881/4885CYP11B2 2701/4885
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C CYP19A1 1540/4885CYP11B1 121/4885CYP11B2 88/4885
US-20130261081-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE MC2R, SLC6A2, CRH CYP19A1 372/4885CYP11B1 101/4885CYP11B2 100/4885
US-20110160247-A1 Aralkyl alcohol piperidine derivative and the use thereof as a medicament for treating depression DRD4, DRD5, DRD3 CYP19A1 3716/4885CYP11B1 2912/4885CYP11B2 2651/4885

“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.