SCHEMBL427485

SCHEMBL427485

CC1(C)COCN1C(=O)n1cnc(-c2cccc(-c3ccccc3)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.38
KMO O15229 2/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 3/20 0.36
CYP1A2 P05177 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GLA P06280 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SLC6A7 Q99884 2/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
CNR2 P34972 2/20 0.33
POLB P06746 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
SCHEMBL425743 0.93 FAAH (0.43) FAAHKDM4EALDH1A1GAACYP1A2
SCHEMBL427770 0.89 FYN (0.38) NR5A2
SCHEMBL427643 0.89 HSD17B1 (0.37) KDM4EALDH1A1GAACYP1A2HPGD
SCHEMBL7898244 0.89 KMO (0.38) FAAHKMOKDM4EALDH1A1GAA
SCHEMBL427956 0.86 TP53 (0.39) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL464499 0.85 NR4A2 (0.34) FAAHKDM4EALDH1A1GAACYP1A2
SCHEMBL425714 0.84 CYP2A6 (0.46) KMOHPGDCYP2C9CYP2C19
SCHEMBL427535 0.83 CNR2 (0.35) FAAHKDM4EALDH1A1GAACYP1A2
SCHEMBL425899 0.82 CNR2 (0.34) FAAHKDM4EALDH1A1GAACYP1A2
SCHEMBL427118 0.82 DPP4 (0.40) FAAHKMOKDM4EALDH1A1GAA

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 6 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-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
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 FAAH 1/4885KMO 306/4885KDM4E 1982/4885

“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.