SCHEMBL3928208

SCHEMBL3928208

COc1ccc(Cl)cc1-c1nc(C(=O)NC2CCCCC2)c(C)n1CC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.53
CNR2 P34972 8/20 0.53
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 2/20 0.43
ABCC3 O15438 1/20 0.43
ABCC4 O15439 1/20 0.43
ABCC9 O60706 1/20 0.43
ABCB11 O95342 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CFTR P13569 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL3922484 1.00 CNR1 (0.53) CNR1CNR2MEN1KMT2ASMN1; SMN2
SCHEMBL3928212 0.98 CNR1 (0.51) CNR1CNR2MEN1KMT2ASMN1; SMN2
SCHEMBL3921257 0.92 CNR1 (0.52) CNR1CNR2MEN1KMT2ASMN1; SMN2
SCHEMBL3918749 0.92 CNR1 (0.52) CNR1CNR2MEN1KMT2ASMN1; SMN2
SCHEMBL3925455 0.90 CNR1 (0.50) CNR1CNR2MEN1KMT2ASMN1; SMN2
SCHEMBL4371355 0.89 CNR1 (0.49) CNR1CNR2MEN1KMT2ASMN1; SMN2
SCHEMBL3922448 0.88 HPGD (0.42) CNR1CNR2SMN1; SMN2MAPTHPGD
SCHEMBL3923420 0.88 CNR1 (0.52) CNR1CNR2MAPTLMNA
SCHEMBL3921024 0.87 CNR1 (0.53) CNR1CNR2MEN1KMT2AHPGD
SCHEMBL3919299 0.87 CNR1 (0.59) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US claimed
EP-1583742-B1 CB 1 RECEPTOUR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-12-02 EP disclosed
EP-1583742-B1 CB 1 RECEPTOUR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-12-02 EP disclosed
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 US disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 US disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US disclosed
EP-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
US-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 US disclosed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO 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 (2 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-20040167129-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, ARRB1 CNR1 1/4885CNR2 2/4885MEN1 2554/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 CNR1 1/4885CNR2 2/4885MEN1 2306/4885

“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.