SCHEMBL13745396

SCHEMBL13745396

Cc1c(C(N)=O)cc(-c2cc(Cl)ccc2Cl)n1CC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.54
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
SLC6A4 P31645 2/20 0.43
METAP2 P50579 1/20 0.39
ACHE P22303 1/20 0.39
HTR4 Q13639 1/20 0.39
PLA2G2A P14555 1/20 0.39
TP53 P04637 1/20 0.39
NOTUM Q6P988 1/20 0.38
TSHR P16473 1/20 0.38
ALOX5 P09917 1/20 0.37
BACE1 P56817 1/20 0.37
NPC1 O15118 1/20 0.37
RORC P51449 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
JAK2 O60674 1/20 0.37
PTGER1 P34995 1/20 0.36

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
SCHEMBL13745236 0.91 CNR1 (0.48) CNR1HTR2AHTR2CSLC6A4METAP2
SCHEMBL3928189 0.90 CNR1 (0.55) CNR1HTR2AHTR2CSLC6A4METAP2
SCHEMBL3930588 0.85 CNR1 (0.63) CNR1HTR2AHTR2CSLC6A4TP53
SCHEMBL13602551 0.85 HTR2A (0.49) CNR1HTR2AHTR2CSLC6A4PLA2G2A
SCHEMBL3931062 0.84 CNR1 (0.56) CNR1HTR2AHTR2CSLC6A4
SCHEMBL13717274 0.82 CNR1 (0.79) CNR1HTR2AHTR2CSLC6A4TAS1R3
SCHEMBL3918752 0.82 HTR2A (0.55) CNR1HTR2AHTR2CSLC6A4
SCHEMBL13717145 0.82 CNR1 (0.79) CNR1HTR2AHTR2CSLC6A4TAS1R3
SCHEMBL13717212 0.82 CNR1 (0.79) CNR1HTR2AHTR2CSLC6A4TAS1R3
SCHEMBL3923408 0.81 NOTUM (0.50) CNR1HTR2AHTR2CSLC6A4TP53

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 2 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 disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 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-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 CNR1 1/4885HTR2A 255/4885HTR2C 240/4885

“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.