SCHEMBL4383359

SCHEMBL4383359

Cc1c(C(=O)NC2CCCCC2)cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1C[C@H]1CCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.46
ALDH1A1 P00352 6/20 0.46
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
CNR1 P21554 2/20 0.45
RXFP1 Q9HBX9 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GLA P06280 2/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 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
SCHEMBL3921347 0.88 CNR1 (0.54) RORCALDH1A1LMNANPSR1HTT
SCHEMBL3929705 0.88 CNR1 (0.56) RORCALDH1A1LMNANPSR1HTT
SCHEMBL4371429 0.85 KMT2A (0.44) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL4380542 0.85 KMT2A (0.44) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL4369702 0.85 CNR1 (0.53) RORCALDH1A1LMNANPSR1HTT
SCHEMBL4371543 0.85 CNR1 (0.53) ALDH1A1LMNANPSR1HTTMEN1
SCHEMBL4373433 0.85 ALDH1A1 (0.40) ALDH1A1LMNANPSR1KMT2AMAPT
SCHEMBL4371325 0.84 CNR1 (0.65) CRHR2CNR1CNR2
SCHEMBL21696206 0.83 RORC (0.54) RORCALDH1A1LMNANPSR1HTT
SCHEMBL5614389 0.83 RORC (0.38) RORCKMT2AMAPTCNR1TDP1

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 RORC 433/4885ALDH1A1 1201/4885LMNA 3703/4885

“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.