SCHEMBL424634

SCHEMBL424634

CCC1CN(C(=O)n2cnc(-c3ccccc3)c2)C(C)(C)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.42
CES2 O00748 1/20 0.38
DAGLA Q9Y4D2 2/20 0.34
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
USP19 O94966 1/20 0.32
LDHA P00338 1/20 0.32
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
CAPN1 P07384 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
CYP2E1 P05181 1/20 0.31

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
SCHEMBL427099 0.90 MAP4K4 (0.36) FAAHCES2MEN1KMT2A
SCHEMBL7902610 0.89 FAAH (0.33) FAAHCES2
SCHEMBL425824 0.83 FAAH (0.40) FAAHCES2USP19
SCHEMBL425915 0.78 ALDH1A1 (0.38) FAAHCES2MEN1MAPTKMT2A
SCHEMBL425869 0.76 FAAH (0.43) FAAHCES2USP19TP53MAPT
SCHEMBL425743 0.74 FAAH (0.43) FAAHCES2USP19LDHACYP2C9
SCHEMBL425924 0.71 FAAH (0.46) FAAHCES2DAGLADRD2DRD4
SCHEMBL19293990 0.69 FAAH (0.47) FAAHMEN1KMT2A
SCHEMBL19294002 0.68 FAAH (0.42) FAAHCES2DAGLADRD2DRD4
SCHEMBL427485 0.68 FAAH (0.38) FAAHCES2CYP2C9CYP2C19

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 1/4885CES2 62/4885DAGLA 254/4885

“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.