SCHEMBL22432045

SCHEMBL22432045

CCCCC(C)c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.46
CNR2 P34972 11/20 0.46
S1PR1 P21453 2/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
GLA P06280 1/20 0.41
APLNR P35414 1/20 0.39

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
SCHEMBL25086538 0.94 CNR1 (0.45) CNR1CNR2S1PR1DRD2DRD3
SCHEMBL18970401 0.90 S1PR1 (0.45) CNR1CNR2S1PR1DRD2GLA
SCHEMBL19707534 0.84 GRM4 (0.43) CNR1CNR2S1PR1DRD2DRD3
SCHEMBL5545605 0.83 CNR1 (0.43) CNR1CNR2S1PR1GLA
SCHEMBL14468209 0.83 CNR1 (0.40) CNR1CNR2S1PR1GLA
SCHEMBL19683731 0.83 TSHR (0.34) CNR1CNR2S1PR1DRD2DRD3
SCHEMBL825570 0.83 HDAC4 (0.49) CNR1CNR2S1PR1GLA
SCHEMBL22664587 0.83 DRD2 (0.42) CNR1CNR2S1PR1DRD2DRD3
SCHEMBL19003708 0.83 DRD2 (0.42) CNR1CNR2S1PR1DRD2DRD3
SCHEMBL28099989 0.82 HDAC4 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188845-A1 SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY 2021-06-24 US disclosed
US-10968179-B2 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2021-04-06 US disclosed
US-20200407371-A1 SMALL MOLECULES FOR INDUCING SELECTIVE PROTEIN DEGRADATION AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-31 US disclosed
US-20200290953-A1 Charged Ion Channel Blockers and Methods for Use Nocion Therapeutics, Inc. 2020-09-17 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 (4 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-20200290953-A1 Charged Ion Channel Blockers and Methods for Use TRPV1, TRPV2, TRPV5 CNR1 225/4885CNR2 181/4885S1PR1 590/4885
US-20210188845-A1 SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKA, DGKZ, DGKK CNR1 507/4885CNR2 925/4885S1PR1 915/4885
US-20200407371-A1 SMALL MOLECULES FOR INDUCING SELECTIVE PROTEIN DEGRADATION AND USES THEREOF BAZ2A, BRD3, BRPF3 CNR1 2557/4885CNR2 3163/4885S1PR1 3150/4885
US-10968179-B2 Charged ion channel blockers and methods for use TRPV1, TRPV2, TRPV5 CNR1 225/4885CNR2 181/4885S1PR1 590/4885

“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.