SCHEMBL425899

SCHEMBL425899

CC(C)(O)CCc1cccc(-c2cn(C(=O)N3COCC3(C)C)cn2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.34
CNR1 P21554 1/20 0.34
MAPK14 Q16539 1/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
GRM5 P41594 2/20 0.32
PIM2 Q9P1W9 1/20 0.32
FAAH O00519 1/20 0.31
RIPK1 Q13546 1/20 0.31
AOC3 Q16853 2/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
CYP1A2 P05177 2/20 0.30
GAA P10253 2/20 0.30
HPGD P15428 2/20 0.30
HSD17B10 Q99714 2/20 0.30
GLA P06280 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL464499 0.84 NR4A2 (0.34) CNR2CNR1GRM5FAAHKDM4E
SCHEMBL427643 0.82 HSD17B1 (0.37) KDM4EALDH1A1CYP1A2GAAHPGD
SCHEMBL427485 0.82 FAAH (0.38) CNR2GRM5FAAHKDM4EALDH1A1
SCHEMBL7898244 0.82 KMO (0.38) CNR2DPP4DPP8DPP9FAAH
SCHEMBL425743 0.81 FAAH (0.43) CNR2DPP4DPP8DPP9GRM5
SCHEMBL425997 0.80 GRM5 (0.37) GRM5RIPK1
SCHEMBL427956 0.79 TP53 (0.39) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL427770 0.79 FYN (0.38)
SCHEMBL425714 0.78 CYP2A6 (0.46) HPGDCYP2C9CYP2C19
SCHEMBL427535 0.76 CNR2 (0.35) CNR2CNR1DPP4DPP8DPP9

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 CNR2 9/4885CNR1 15/4885MAPK14 4357/4885

“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.