SCHEMBL425689

SCHEMBL425689

COc1ccc(-c2ncn(C(=O)N3CCC(CCCc4ccccc4)CC3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.49
MCHR1 Q99705 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
MGLL Q99685 1/20 0.42
RYR2 Q92736 1/20 0.41
CHRM4 P08173 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ACHE P22303 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
SCHEMBL25278724 0.79 DRD2 (0.59) OPRM1MEN1KMT2AALDH1A1KDM4E
SCHEMBL461872 0.74 OPRM1 (0.40) OPRM1MEN1KMT2AALDH1A1LMNA
SCHEMBL25285556 0.71 PKM (0.61) OPRM1SMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL424466 0.71 FAAH (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL27373891 0.70 SLC18A3 (0.56) KMT2AALDH1A1KDM4E
SCHEMBL9051255 0.70 SLC18A3 (0.58) ALDH1A1KDM4E
SCHEMBL427033 0.69 MAPK1 (0.60) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4155287 0.69 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL10724420 0.69 HDAC3 (0.62) MEN1KMT2AHTTSIGMAR1ACHE
SCHEMBL25242855 0.69 HDAC3 (0.66) MEN1KMT2AHTTSIGMAR1ACHE

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 5 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-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
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 OPRM1 887/4885MCHR1 2099/4885MEN1 2893/4885

“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.