SCHEMBL1921086

SCHEMBL1921086

CC(C)n1cc2c(Cl)nc3ccccc3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
HTR2A P28223 2/20 0.41
HTR4 Q13639 2/20 0.41
PDE4B Q07343 2/20 0.40
GPR3 P46089 1/20 0.40
TP53 P04637 1/20 0.40
USP2 O75604 1/20 0.39
ATM Q13315 3/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
METAP1 P53582 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
PDE4D Q08499 1/20 0.38
KMT2A Q03164 2/20 0.37

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
SCHEMBL1920659 0.82 MAOA (0.45) MAOAMAOBTDP1HTR2AHTR4
SCHEMBL516091 0.75 TDP1 (0.59) MAOAMAOBTDP1PDE4BGPR3
SCHEMBL3608508 0.73 ADORA2A (0.34) MAPTKMT2AMEN1SMN1; SMN2ADORA2A
SCHEMBL3949183 0.69 MAOA (0.47) MAOAMAOBTDP1PDE4BGPR3
SCHEMBL13394510 0.68 MAOA (0.55) MAOAMAOBTDP1PDE4BGPR3
SCHEMBL29314509 0.68 ADORA3 (0.43) MAOAMAOBTDP1TP53METAP1
SCHEMBL17083434 0.68 MAOA (0.46) MAOAMAOBTDP1GPR3TP53
SCHEMBL29461212 0.67 TDP1 (0.54) MAOAMAOBTDP1PDE4BGPR3
SCHEMBL856788 0.67 TDP1 (0.54) MAOAMAOBTDP1PDE4BGPR3
SCHEMBL25033987 0.67 TSHR (0.50) MAOAMAOBTDP1TP53USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102099358-B Compound with serotoninergic activity, process for preparing same and pharmaceutical composition comprising same ACRAF 2014-01-22 CN disclosed
EP-2326645-B9 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT ACRAF (IT) 2013-04-17 EP disclosed
EP-2326645-B1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT ACRAF (IT) 2012-11-07 EP disclosed
US-20110160201-A1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT AZIENDE CHIMI. RIUN. ANG. FRANC. A.C.R.A.F. S.p.A. (IT) 2011-06-30 US disclosed
CN-102099358-A Compound with serotoninergic activity, process for preparing same and pharmaceutical composition comprising same ACRAF 2011-06-15 CN disclosed
EP-2326645-A1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT Aziende Chimiche Riunite Angelini Francesco A.C.R.A.F. S.p.A. (IT) 2011-06-01 EP disclosed
WO-2010012611-A1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2010-02-04 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 (1 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-20110160201-A1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT TPH1, TPH2, HTR1A MAOA 27/4885MAOB 25/4885TDP1 1610/4885

“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.