SCHEMBL21909535

SCHEMBL21909535

CN1C[C@]2(C)CNC[C@]2(C)C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31

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
SCHEMBL24900914 1.00 NPSR1 (0.31) NPSR1GPR55
SCHEMBL30831658 1.00 NPSR1 (0.31) NPSR1GPR55
Hydrochloric Acid SCHEMBL31506043 0.97 NPSR1 (0.31) NPSR1GPR55
Hydrochloric Acid SCHEMBL30831631 0.97 NPSR1 (0.31) NPSR1GPR55
SCHEMBL26788461 0.79
SCHEMBL24922204 0.79
SCHEMBL18459800 0.79
SCHEMBL612132 0.75
SCHEMBL825094 0.75
SCHEMBL270897 0.75 NPSR1 (0.44) NPSR1GPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11351170-B2 Substituted pyrimidines as CDK4/6 inhibitors BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2022-06-07 US disclosed
WO-2020259584-A1 HETEROCYCLIC COMPOUNDS FOR MEDIATING TYROSINE KINASE 2 ACTIVITY GUANGZHOU INNOCARE PHARMA TECH CO., LTD. (CN) 2020-12-30 WO disclosed
US-10632128-B2 Compounds that inhibit Mcl-1 protein AMGEN INC. (US) 2020-04-28 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-11351170-B2 Substituted pyrimidines as CDK4/6 inhibitors CDK4, CDK6, CDK2 NPSR1 3892/4885GPR55 2791/4885
US-10632128-B2 Compounds that inhibit Mcl-1 protein MCL1, BCL9, BCL2L1 NPSR1 4654/4885GPR55 4384/4885

“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.