SCHEMBL461673

SCHEMBL461673

Cc1ccc(OC2CCN(c3n[nH]c(-n4cnc(-c5ccc(F)cc5F)n4)n3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.38
SCD O00767 4/20 0.36
DCK P27707 1/20 0.35
GPR6 P46095 6/20 0.34
CYP2D6 P10635 4/20 0.34
LIPG Q9Y5X9 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL425555 0.73 FAAH (0.43)
SCHEMBL461349 0.71 TSHR (0.38) GPR6
SCHEMBL17772980 0.63 PIK3CB (0.48) CHRM4SCD
SCHEMBL5986520 0.62 ACACB (0.53) CHRM4LIPG
SCHEMBL28187923 0.62 CHRM4 (0.46) CHRM4DCKSCN9A
SCHEMBL3376459 0.60 TP53 (0.48) SCD
SCHEMBL7603271 0.60 ACACB (0.51) LIPG
SCHEMBL23564134 0.59 MAPT (0.47) CHRM4
SCHEMBL19023226 0.58 CHRM4 (0.72) CHRM4SCDLIPG
SCHEMBL19022841 0.58 CHRM4 (0.75) CHRM4GPR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 CHRM4 2063/4885SCD 28/4885DCK 3144/4885

“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.