SCHEMBL4371244

SCHEMBL4371244

Cc1c(C(=O)NC2CCCCC2)cc(-c2ccccc2OC(F)(F)F)n1C[C@@H]1CCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
BLM P54132 1/20 0.44
CASP7 P55210 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL4376903 1.00 NPSR1 (0.44) NPSR1KDM4EGLAGAAMAPK1
SCHEMBL4374875 0.91 POLB (0.42) NPSR1POLBALDH1A1HTTSMN1; SMN2
SCHEMBL3927996 0.89 CNR1 (0.52) NPSR1POLBALDH1A1HTTSMN1; SMN2
SCHEMBL3922283 0.89 CNR1 (0.50) NPSR1POLBALDH1A1HTTSMN1; SMN2
SCHEMBL4373581 0.88 EPHX1 (0.41) NPSR1KDM4EGLAGAAMAPK1
SCHEMBL4380524 0.88 EPHX1 (0.41) NPSR1KDM4EGLAGAAMAPK1
SCHEMBL4382165 0.87 ALDH1A1 (0.47) KDM4EGLAGAAHSD17B10TSHR
SCHEMBL4382166 0.87 ALDH1A1 (0.47) KDM4EGLAGAAHSD17B10TSHR
SCHEMBL4372532 0.87 ALDH1A1 (0.48) KDM4EGLAGAAHSD17B10TSHR
SCHEMBL4371558 0.87 ALDH1A1 (0.48) KDM4EGLAGAAHSD17B10TSHR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563910-B2 Heterocyclic cannabinoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2009-07-21 US claimed
EP-1749002-B1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-05-27 EP claimed
EP-1749002-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F.HOFFMANN-LA ROCHE AG (CH) 2007-02-07 EP claimed
WO-2005108393-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2005-11-17 WO claimed
US-20050250769-A1 Heterocyclic cannabinoid receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 US claimed
US-7563910-B2 Heterocyclic cannabinoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2009-07-21 US disclosed
EP-1749002-B1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-05-27 EP disclosed
EP-1749002-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F.HOFFMANN-LA ROCHE AG (CH) 2007-02-07 EP disclosed
WO-2005108393-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2005-11-17 WO disclosed
US-20050250769-A1 Heterocyclic cannabinoid receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 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-20050250769-A1 Heterocyclic cannabinoid receptor antagonists CNR1, CNR2, GPR18 NPSR1 22/4885KDM4E 2392/4885GLA 2978/4885

“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.