SCHEMBL6806735

SCHEMBL6806735

COc1cc(CN)ccc1OCCN(C(C)C)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.51
HTR2C P28335 1/20 0.47
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44
LTA4H P09960 1/20 0.43
AOC3 Q16853 1/20 0.43

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
SCHEMBL4198415 0.82 GAA (0.55) MCHR1HTR2CKDM4E
SCHEMBL6811225 0.81 BIRC5 (0.62) MCHR1KDM4EATMAOC3
SCHEMBL8107846 0.80 KDM4E (0.58) KDM4EATM
SCHEMBL6943325 0.79 KDM4E (0.51) KDM4EATM
SCHEMBL25376330 0.77 KCNH2 (0.52) KDM4EATM
SCHEMBL13191524 0.77 CSNK2A1 (0.55) KDM4EATM
SCHEMBL5132224 0.77 MCHR1 (0.59) MCHR1HTR2C
SCHEMBL3858077 0.77 BIRC5 (0.57) KDM4EATM
SCHEMBL5132218 0.77 MAPK1 (0.62) MCHR1HTR2C
SCHEMBL6204180 0.77 GAA (0.47) MCHR1HTR2CKDM4EATM

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 MCHR1 133/4885HTR2C 93/4885KDM4E 2413/4885

“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.