SCHEMBL17548540

SCHEMBL17548540

CCCCCC(c1c(-c2ccccc2)[nH]c2ccccc12)C(C#N)C#N

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.40
CNR2 P34972 1/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
HTR1A P08908 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
SCHEMBL20104531 0.76 CCNB2 (0.50) CNR1CNR2CCNB2CDK1CCNB1
SCHEMBL11619004 0.73 CCNB2 (0.53) CNR1CNR2CCNB2CDK1CCNB1
SCHEMBL17540778 0.72 CNR1 (0.49) CNR1CNR2CCNB2CDK1CCNB1
SCHEMBL28975523 0.71 OPRM1 (0.41)
SCHEMBL28979017 0.71 OPRM1 (0.41)
Carbazole SCHEMBL27757289 0.68 ALDH1A1 (0.67)
SCHEMBL12244367 0.67 CCNB2 (0.75) CNR1CNR2CCNB2CDK1CCNB1
SCHEMBL11659899 0.67 CNR1 (0.63) CNR1CNR2CCNB2CDK1CCNB1
SCHEMBL17540738 0.67 CNR1 (0.74) CNR1CNR2
Tetradecane SCHEMBL9931701 0.67 ALDH1A1 (0.64) HTR1A

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-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2018-05-03 US disclosed
WO-2016029310-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2016-03-03 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 (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-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS CNR1, CNR2, GPR18 CNR1 1/4885CNR2 2/4885CCNB2 2581/4885

“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.