SCHEMBL3920186

SCHEMBL3920186

Cc1c(C(=O)NCC2CCCCC2)cc(-c2cc(F)c(F)cc2Cl)n1CC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.54
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
HTR2A P28223 3/20 0.45
HTR2C P28335 3/20 0.45
SLC6A4 P31645 3/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
BCL2A1 Q16548 1/20 0.41
P2RX7 Q99572 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CHRM1 P11229 2/20 0.39
POLB P06746 1/20 0.39
ACHE P22303 2/20 0.38
HTR4 Q13639 2/20 0.38
PTGES O14684 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL3927465 0.94 CNR1 (0.54) CNR1NPC1RAB9AHTR2AHTR2C
SCHEMBL3920150 0.83 CNR1 (0.59) CNR1NPC1RAB9AHTR2AHTR2C
SCHEMBL13602631 0.82 CNR1 (0.51) CNR1HTR2AHTR2CSLC6A4P2RX7
SCHEMBL3927435 0.81 CNR1 (0.52) CNR1NPC1RAB9AHTR2AHTR2C
SCHEMBL13717083 0.81 CNR1 (0.74) CNR1NPC1RAB9AHTR2AHTR2C
SCHEMBL3921313 0.78 CNR1 (0.54) CNR1NPC1RAB9AHTR2AHTR2C
SCHEMBL3921379 0.78 CNR1 (0.51) CNR1NPC1RAB9AMEN1KMT2A
SCHEMBL13717407 0.77 CNR1 (0.53) CNR1NPC1RAB9AHTR2AHTR2C
SCHEMBL13602731 0.77 CNR1 (0.53) CNR1NPC1RAB9AHTR2AHTR2C
SCHEMBL3922440 0.77 CNR1 (0.56) CNR1NPC1RAB9AHTR2AHTR2C

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 1/4885NPC1 579/4885RAB9A 976/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 CNR1 1/4885NPC1 517/4885RAB9A 790/4885

“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.