SCHEMBL3198591

SCHEMBL3198591

COc1cccc(N2CCN(CCCC(N)=O)CC2)c1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.73
HTR1A P08908 10/20 0.67
CACNA1G O43497 2/20 0.66
DRD2 P14416 3/20 0.65
DRD4 P21917 3/20 0.62
ADRA2A P08913 1/20 0.59
ADRA2C P18825 1/20 0.59
HRH2 P25021 1/20 0.59
HTR1B P28222 1/20 0.59
HTR2A P28223 1/20 0.59
HTR7 P34969 1/20 0.59
ADRA1A P35348 1/20 0.59
HRH1 P35367 1/20 0.59
ADRA1B P35368 1/20 0.59
HTR2B P41595 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
TP53 P04637 1/20 0.58
MAPT P10636 1/20 0.58

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
Hydrochloric Acid SCHEMBL3212431 0.99 KCNH2 (0.71) KCNH2HTR1ACACNA1GDRD2DRD4
SCHEMBL27895258 0.96 KCNH2 (0.76) KCNH2HTR1ACACNA1GDRD2DRD4
SCHEMBL3196635 0.88 KCNH2 (0.55) KCNH2HTR1ACACNA1GDRD2DRD4
Hydrochloric Acid SCHEMBL3194757 0.87 KCNH2 (0.53) KCNH2HTR1ACACNA1GDRD2DRD4
SCHEMBL3186218 0.85 HSD17B10 (0.70) HTR1ADRD2DRD4ADRA2AADRA2C
SCHEMBL4395587 0.85 ALDH1A1 (0.63) KCNH2HTR1ADRD2DRD4MAPT
SCHEMBL4525293 0.85 KCNH2 (1.00) KCNH2HTR1ADRD2DRD4ADRA2A
SCHEMBL2114590 0.84 KCNH2 (0.68) KCNH2HTR1ACACNA1GDRD2DRD4
SCHEMBL3198969 0.84 KCNH2 (0.72) KCNH2HTR1ADRD2DRD4HTR2A
Hydrochloric Acid SCHEMBL3199211 0.84 HSD17B10 (0.68) HTR1ADRD2DRD4HTR2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2010-02-04 US claimed
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 US claimed
EP-2057138-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME Pierre Fabre Medicament (FR) 2009-05-13 EP claimed
WO-2008009741-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2008-01-24 WO claimed
US-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2010-02-04 US disclosed
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 US disclosed
EP-2057138-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME Pierre Fabre Medicament (FR) 2009-05-13 EP disclosed
WO-2008009741-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2008-01-24 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-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME DRD3, CHRNA3, CHRM3 KCNH2 1015/4885HTR1A 66/4885CACNA1G 245/4885
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility HTR2C, HTR2A, DRD2 KCNH2 769/4885HTR1A 15/4885CACNA1G 1158/4885

“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.