SCHEMBL20104531

SCHEMBL20104531

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
CYP19A1 P11511 1/20 0.44
CNR1 P21554 14/20 0.44
CNR2 P34972 1/20 0.44
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 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
SCHEMBL11619004 0.84 CCNB2 (0.53) CCNB2CDK1CCNB1CCNB3ESR1
SCHEMBL17540778 0.81 CNR1 (0.49) CCNB2CDK1CCNB1CCNB3ESR1
SCHEMBL12244367 0.79 CCNB2 (0.75) CCNB2CDK1CCNB1CCNB3ESR1
SCHEMBL17548540 0.76 CNR1 (0.40) CCNB2CDK1CCNB1CCNB3CNR1
SCHEMBL10933044 0.76 CCNB2 (0.61) CCNB2CDK1CCNB1CCNB3ESR1
SCHEMBL11797871 0.76 CCNB2 (0.57) CCNB2CDK1CCNB1CCNB3ESR1
SCHEMBL7645847 0.76 CCNB2 (0.57) CCNB2CDK1CCNB1CCNB3ESR1
SCHEMBL11656880 0.74 CCNB2 (0.55) CCNB2CDK1CCNB1CCNB3ESR1
SCHEMBL21228922 0.72 CCNB2 (0.53) CCNB2CDK1CCNB1CCNB3ESR1
SCHEMBL17540738 0.72 CNR1 (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377711-B2 Cannabinoid type 1 receptor modulators THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2019-08-13 US disclosed
US-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2018-05-03 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 (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-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS CNR1, CNR2, GPR18 CCNB2 2581/4885CDK1 950/4885CCNB1 2120/4885
US-10377711-B2 Cannabinoid type 1 receptor modulators CNR1, CNR2, GPR18 CCNB2 2581/4885CDK1 950/4885CCNB1 2120/4885

“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.