SCHEMBL427176

SCHEMBL427176

COc1cc(-c2cn(C(=O)N3COCC3(C)C)cn2)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 3/20 0.37
KDM1A O60341 1/20 0.36
AVPR1B P47901 5/20 0.35
CNR2 P34972 2/20 0.35
RPS6KB1 P23443 1/20 0.33
AKT1 P31749 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PDE10A Q9Y233 1/20 0.33
SCD O00767 1/20 0.33
SCD5 Q86SK9 1/20 0.33
PHF8 Q9UPP1 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
SCHEMBL427563 0.92 ALDH1A1 (0.40) CACNA1HCNR2KDM4EALDH1A1LMNA
SCHEMBL427475 0.91 CNR2 (0.38) CNR2KDM4EALDH1A1
SCHEMBL427043 0.89 FYN (0.39)
SCHEMBL425883 0.87 KDM1A (0.33) KDM1ACNR2KDM4EALDH1A1
SCHEMBL426001 0.86 CNR2 (0.37) CNR2ALDH1A1LMNA
SCHEMBL425981 0.85 MIF (0.36) CNR2KDM4ELMNA
SCHEMBL427620 0.84 KDM4E (0.38) CNR2KDM4EALDH1A1LMNA
SCHEMBL425709 0.82 KDM4E (0.43) KDM4EALDH1A1LMNA
SCHEMBL427118 0.82 DPP4 (0.40) CNR2KDM4EALDH1A1LMNA
SCHEMBL427956 0.82 TP53 (0.39) KDM4EALDH1A1

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-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

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 CACNA1H 1134/4885KDM1A 1476/4885AVPR1B 1145/4885

“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.