SCHEMBL3315499

SCHEMBL3315499

O=C(NC12CC3CC(CC(C3)C1)C2)c1cc[nH]n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.54
FAAH O00519 4/20 0.53
CNR2 P34972 6/20 0.51
CNR1 P21554 1/20 0.51
POLB P06746 1/20 0.50
TSHR P16473 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PKM P14618 1/20 0.47

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
SCHEMBL5769532 0.85 PABPC1 (0.39) PABPC1FAAHCNR2CNR1POLB
SCHEMBL23917015 0.79 PABPC1 (0.51) PABPC1FAAHCNR2CNR1POLB
SCHEMBL3730219 0.78 P2RX7 (0.56)
SCHEMBL30634268 0.76 FAAH (0.61) PABPC1FAAHCNR2CNR1POLB
SCHEMBL16259941 0.74 GRM5 (0.72) TSHR
SCHEMBL2638308 0.73 PABPC1 (0.65) PABPC1FAAHCNR2TSHRKDM4E
SCHEMBL4064442 0.73 PABPC1 (0.57) PABPC1FAAHCNR2CNR1POLB
SCHEMBL4657554 0.71 FAAH (0.58) PABPC1FAAHCNR2POLBTSHR
SCHEMBL2638097 0.71 NPC1 (0.56) PABPC1FAAHCNR2CNR1TSHR
SCHEMBL16872821 0.70 FAAH (0.71) PABPC1FAAHCNR2POLBTSHR

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
EP-1910302-A1 CARBONYL SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 RECEPTOR MODULATORS Laboratorios del Dr. Esteve S.A. (ES) 2008-04-16 EP claimed
WO-2007009687-A1 CARBONYL SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 RECEPTOR MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 WO claimed
US-7728029-B2 Adamantyl-pyrazole carboxamides as inhibitors of 11β-hdroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-06-01 US disclosed
US-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase ANDERSON KEVIN WILLIAM 2007-09-27 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-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase HSD3B2, HSD3B1, HSD17B2 PABPC1 4515/4885FAAH 973/4885CNR2 2639/4885

“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.