SCHEMBL6540941

SCHEMBL6540941

COc1ccccc1CN1CCN(C)C(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.56
KDM4E B2RXH2 2/20 0.48
ALOX15 P16050 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KCNH2 Q12809 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
Hydrochloric Acid SCHEMBL6541642 0.99 TACR1 (0.57) TACR1KDM4EALOX15CHRM2CHRM4
Hydrochloric Acid SCHEMBL6541654 0.99 TACR1 (0.57) TACR1KDM4EALOX15CHRM2CHRM4
SCHEMBL6541694 0.88 MAPT (0.51) TACR1KDM4EALOX15KMT2AKCNH2
SCHEMBL6541053 0.88 TACR1 (0.53) TACR1KDM4EMEN1KMT2A
SCHEMBL6540815 0.88 TACR1 (0.55) TACR1MEN1KMT2A
SCHEMBL6541215 0.88 KDM4E (0.55) TACR1KDM4EMEN1KMT2A
SCHEMBL6541473 0.88 TACR1 (0.69) TACR1
SCHEMBL6541273 0.87 TACR1 (0.48) TACR1MEN1KMT2AKCNH2
SCHEMBL6541095 0.87 TACR1 (0.47) TACR1KDM4E
SCHEMBL7179751 0.87 TACR1 (0.56) TACR1KDM4EKMT2A

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 TACR1 3/4885KDM4E 3697/4885ALOX15 1718/4885

“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.