SCHEMBL6807627

SCHEMBL6807627

CCc1cc(N)ccc1OCCN(CC)CC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.53
CYP1A2 P05177 3/20 0.53
SCN1A P35498 3/20 0.53
SCN2A Q99250 3/20 0.53
SCN3A Q9NY46 3/20 0.53
BIRC5 O15392 1/20 0.50
MCHR1 Q99705 1/20 0.49
DRD2 P14416 1/20 0.49
DRD1 P21728 1/20 0.49
DRD3 P35462 1/20 0.49
HRH3 Q9Y5N1 4/20 0.47
MAOA P21397 3/20 0.47
KCNH2 Q12809 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HTR3A P46098 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM3 P20309 1/20 0.47
HTR2C P28335 1/20 0.47

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
SCHEMBL4008111 0.92 PRKCI (0.56) CYP2D6CYP1A2SCN1ASCN2ASCN3A
SCHEMBL11233185 0.84 KDM4E (0.65) CYP2D6CYP1A2SCN1ASCN2ASCN3A
SCHEMBL3857789 0.83 BIRC5 (0.51) CYP2D6CYP1A2SCN1ASCN2ASCN3A
Hydrochloric Acid SCHEMBL11225332 0.83 MAPT (0.68) CYP2D6CYP1A2SCN1ASCN2ASCN3A
SCHEMBL3857536 0.81 MAOA (0.57) CYP2D6CYP1A2SCN1ASCN2ASCN3A
SCHEMBL3616464 0.81 BIRC5 (0.54) CYP2D6CYP1A2SCN1ASCN2ASCN3A
SCHEMBL3859527 0.81 GAA (0.61) CYP2D6CYP1A2SCN1ASCN2ASCN3A
SCHEMBL4006663 0.81 CYP2D6 (0.50) CYP2D6CYP1A2SCN1ASCN2ASCN3A
SCHEMBL3863007 0.81 KDM4E (0.60) CYP2D6CYP1A2SCN1ASCN2ASCN3A
SCHEMBL824064 0.81 CYP2D6 (0.43) CYP2D6CYP1A2SCN1ASCN2ASCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063686-A1 Carboxamide compounds and their use as antagonists of a human 11cby receptor JOHNSON CHRISTOPHER NORBERT (GB) 2004-04-01 US disclosed
EP-1305304-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF A HUMAN 11CBY RECEPTOR SMITHKLINE BEECHAM PLC (GB) 2003-05-02 EP disclosed
WO-2002010146-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF A HUMAN 11CBY RECEPTOR SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-07 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 (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-20040063686-A1 Carboxamide compounds and their use as antagonists of a human 11cby receptor CNR1, GPR3, CCKAR CYP2D6 516/4885CYP1A2 455/4885SCN1A 590/4885

“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.