SCHEMBL6540845

SCHEMBL6540845

COc1ccc(-n2ccnc2)cc1C=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.54
CYP11B2 P19099 3/20 0.54
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
HTT P42858 1/20 0.47
CYP19A1 P11511 3/20 0.46
ALDH1A1 P00352 1/20 0.45
IDO1 P14902 1/20 0.44
POLB P06746 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.43
CYP3A4 P08684 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ENPP2 Q13822 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
NOTUM Q6P988 1/20 0.41

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
SCHEMBL29205321 0.89 ALDH1A1 (0.54) CYP11B1CYP11B2MAOAMAOBHTT
SCHEMBL20854613 0.82 CYP11B1 (0.62) CYP11B1CYP11B2MAOAMAOBHTT
SCHEMBL25342936 0.81 ADH5 (0.48) CYP11B1CYP11B2HTTCYP19A1IDO1
SCHEMBL29570319 0.81 ADH5 (0.48) CYP11B1CYP11B2HTTCYP19A1IDO1
Benzene SCHEMBL27999058 0.79 CYP11B1 (0.59) CYP11B1CYP11B2MAOAMAOBHTT
SCHEMBL2094707 0.79 CYP19A1 (0.61) CYP11B1CYP11B2MAOAMAOBHTT
SCHEMBL18101813 0.79 CYP11B1 (0.59) CYP11B1CYP11B2MAOAMAOBHTT
SCHEMBL29205307 0.78 ADH5 (0.51) CYP11B1CYP11B2MAOAMAOBCYP19A1
SCHEMBL27388547 0.78 CYP11B1 (0.57) CYP11B1CYP11B2MAOAMAOBHTT
SCHEMBL30168174 0.78 CYP11B1 (0.57) CYP11B1CYP11B2MAOAMAOBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787543-B2 PREPARATION OF TACHYKININ ANTAGONISTS; SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-07 US disclosed
US-20030176430-A1 Benzhydryl derivatives ASTELLAS PHARMA INC. (JP) 2003-09-18 US disclosed
EP-1294700-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 EP disclosed
WO-2002000631-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 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-20030176430-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 CYP11B1 421/4885CYP11B2 444/4885MAOA 910/4885

“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.