SCHEMBL6795783

SCHEMBL6795783

Clc1ccc2c(ccn2-c2ccncc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.57
BIRC5 O15392 1/20 0.50
SLC6A2 P23975 1/20 0.48
ROCK2 O75116 1/20 0.44
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
KCNH2 Q12809 2/20 0.40
CDC7 O00311 1/20 0.40
CDK2 P24941 1/20 0.40
ROCK1 Q13464 1/20 0.40
MAP3K14 Q99558 1/20 0.40
AOC3 Q16853 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HPGD P15428 1/20 0.39
MAT2A P31153 1/20 0.39
FGFR1 P11362 1/20 0.38
PTGER2 P43116 1/20 0.38
KDM4C Q9H3R0 1/20 0.36
PLA2G4A P47712 1/20 0.36

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
SCHEMBL4557834 0.82 BIRC5 (0.62) CYP19A1BIRC5SLC6A2ROCK2PIM1
SCHEMBL8306084 0.82 CYP19A1 (0.53) CYP19A1BIRC5ROCK2PIM1PIM3
SCHEMBL18307141 0.79 MAPT (0.48) CYP19A1BIRC5SLC6A2KCNH2ROCK1
SCHEMBL31735405 0.79 PRKCI (0.49) CYP19A1KCNH2CDC7CDK2ROCK1
SCHEMBL720541 0.79 PRKCI (0.49) CYP19A1KCNH2CDC7CDK2ROCK1
SCHEMBL4295429 0.79 KCNH2 (0.60) CYP19A1BIRC5ROCK2PIM1PIM3
SCHEMBL14259391 0.79 KCNH2 (0.53) CYP19A1SLC6A2KCNH2CDC7CDK2
SCHEMBL8736804 0.79 ROCK1 (0.54) CYP19A1SLC6A2KCNH2ROCK1HTR2A
SCHEMBL26985600 0.76 CYP19A1 (0.43) CYP19A1BIRC5SLC6A2ROCK2PIM1
SCHEMBL28337477 0.76 RPS6KA5 (0.47) CYP19A1BIRC5SLC6A2ROCK2PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1282644-C Indane or indoline derivative LUNDBECK & CO AS H (DK) 2006-11-01 CN disclosed
CN-1244558-C 1,2-indane or indoline derivative LUNDBECK & CO AS H (DK) 2006-03-08 CN disclosed
CN-1515551-A 1,2-indane or indoline derivative H.¡�±������޹�˾ 2004-07-28 CN disclosed
US-6767907-B2 FOR THERAPY OF PSYCHIC AND NEUROLOGIC DISORDERS H. LUNDBECK A/S (DK) 2004-07-27 US disclosed
US-6743808-B1 PSYCHOLOGICAL AND NEUROLOGIC DISORDERS; CENTRAL SEROTONERGIC 5-HT1A AND 5-HT2A RECEPTOR ANTAGONISTS H. LUNDBECK A/S (DK) 2004-06-01 US disclosed
CN-1495165-A Indane or indoline derivative H.¡�±������޹�˾ 2004-05-12 CN disclosed
CN-1146556-C 1, 2-indane or indoline derivative and preparation method and application thereof H.¡�±������޹�˾ 2004-04-21 CN disclosed
US-20030195356-A1 4-Aryl-1-(indanmethyl dihydrobenzofuranmethyl or dihydrobenzothiophenemethyl) piperidines tetrahydropyridines or piperazines PERREGAARD JENS KRISTIAN (DK) 2003-10-16 US disclosed
US-6552044-B2 Dopamine receptors H. LUNDBECK A/S (DK) 2003-04-22 US disclosed
EP-0946542-B1 INDANE OR DIHYDROINDOLE DERIVATIVES LUNDBECK & CO AS H (DK) 2002-10-09 EP disclosed
US-6352988-B2 HIGH AFFINITY FOR D4 RECEPTORS; TREATMENT OF SCHIZOPHRENIA, OTHER PSYCHOSES, ANXIETY DISORDERS, DEPRESSION, ALCOHOL ABUSE, IMPULSE CONTROL DISORDERS, AGGRESSION H. LUNDBECK A/S (DK) 2002-03-05 US disclosed
US-20010021777-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-09-13 US disclosed
US-20010020095-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-09-06 US disclosed
US-6262087-B1 HAVE HIGH AFFINITY FOR D4 RECEPTORS; USEFUL IN THE TREATMENT OF CERTAIN PSYCHIATRIC AND NEUROLOGIC DISORDERS, INCLUDING PSYCHOSIS, DEPRESSION AND ANXIETY. H. LUNDBECK A/S (DK) 2001-07-17 US disclosed
US-6218394-B1 FOR THERAPY OF SCHIZOPHRENIA, OTHER PSYCHOSES, ANXIETY DISORDERS, SUCH AS GENERALISED ANXIETY DISORDER, PANIC DISORDER H. LUNDBECK A/S (DK) 2001-04-17 US disclosed
EP-0765311-B1 4-ARYL-1-(INDANMETHYL, DIHYDROBENZOFURANMETHYL OR DIHYDROBENZOTHIOPHENEMETHYL)PIPERIDINES, TETRAHYDROPYRIDINES OR PIPERAZINES LUNDBECK & CO AS H (DK) 2000-10-04 EP disclosed
CN-1246117-A 1, 2-indane or indoline derivatives LUNDBECK & CO AS H (DK) 2000-03-01 CN disclosed
EP-0946542-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H. LUNDBECK A/S (DK) 1999-10-06 EP disclosed
WO-1998028293-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H.LUNDBECK A/S (DK) 1998-07-02 WO disclosed
CN-1154105-A 4-aryl-1-(indanmethyl, dihydrobenzofuranmethyl or dihydrobenzothiophenemethyl) piperidines, tetrahydropyridines or piperazines LUNDBECK & CO AS H (DK) 1997-07-09 CN 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-20010020095-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 CYP19A1 474/4885BIRC5 1875/4885SLC6A2 277/4885
US-20030195356-A1 4-Aryl-1-(indanmethyl dihydrobenzofuranmethyl or dihydrobenzothiophenemethyl) piperidines tetrahydropyridines or piperazines CNR1, TPH1, CNR2 CYP19A1 2256/4885BIRC5 4523/4885SLC6A2 437/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 CYP19A1 474/4885BIRC5 1875/4885SLC6A2 277/4885

“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.