SCHEMBL7128183

SCHEMBL7128183

CCc1c(C)nc2ccccc2c1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
RXFP1 Q9HBX9 2/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
KDM4E B2RXH2 3/20 0.55
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
ALDH1A1 P00352 6/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
GPR3 P46089 1/20 0.50
ADRA2A P08913 1/20 0.46
ADRA2C P18825 1/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
NUDT1 P36639 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 1/20 0.43
PLA2G2A P14555 1/20 0.42

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
SCHEMBL10517179 0.84 MAOA (0.52) CYP1A2RXFP1CYP2D6CYP2C9CYP2C19
SCHEMBL2833930 0.84 MAOA (0.52) CYP1A2RXFP1CYP2D6CYP2C9CYP2C19
SCHEMBL2125222 0.83 CYP1A2 (0.72) CYP1A2RXFP1CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL9686560 0.83 MAOA (0.50) CYP1A2RXFP1CYP2D6CYP2C9CYP2C19
SCHEMBL6489952 0.81 GPR3 (0.53) CYP1A2RXFP1CYP2D6CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL29175740 0.81 GPR3 (0.53) CYP1A2RXFP1CYP2D6CYP2C9CYP2C19
SCHEMBL6489948 0.80 GPR3 (0.52) CYP1A2RXFP1CYP2D6CYP2C9CYP2C19
SCHEMBL14044130 0.79 CYP1A2 (0.72) CYP1A2RXFP1CYP2D6CYP2C9CYP2C19
SCHEMBL10518195 0.79 MAOA (0.64) CYP1A2KDM4EMAOAMAOBALDH1A1
SCHEMBL12630086 0.79 SMN1; SMN2 (0.50) CYP1A2RXFP1CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030225078-A1 Derivatives of quinoline as alpha-2 antagonists ORION CORPORATION 2003-12-04 US disclosed
US-6593324-B2 P-aminoanilino- derivatives ORION CORPORATION (FI) 2003-07-15 US disclosed
EP-1263733-A2 DERIVATIVES OF QUINOLINE AS ALPHA-2 ANTAGONISTS ORION CORPORATION FARMOS (FI) 2002-12-11 EP disclosed
US-20010046991-A1 Derivatives of quinoline as alpha-2 antagonists OY JUVANTIA PHARMA LTD. (FI) 2001-11-29 US disclosed
WO-2001064645-A2 DERIVATIVES OF QUINOLINE AS ALPHA-2 ANTAGONISTS ORION CORPORATION (FI) 2001-09-07 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 (2 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-20030225078-A1 Derivatives of quinoline as alpha-2 antagonists ADRB2, ADRA2A, ADRB1 CYP1A2 214/4885RXFP1 62/4885CYP2D6 1632/4885
US-20010046991-A1 Derivatives of quinoline as alpha-2 antagonists ADRB2, ADRA2A, ADRB1 CYP1A2 214/4885RXFP1 62/4885CYP2D6 1632/4885

“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.