SCHEMBL14701589

SCHEMBL14701589

CC(C)c1cn(C2CCCC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 4/20 0.43
CPB2 Q96IY4 7/20 0.37
CDK5 Q00535 4/20 0.36
CDK5R1 Q15078 4/20 0.36
NLRP3 Q96P20 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
CNR1 P21554 1/20 0.32
WDR5 P61964 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32

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
SCHEMBL14701588 0.98 CPB1 (0.44) CPB1CPB2CDK5CDK5R1NLRP3
SCHEMBL22747249 0.96 CPB1 (0.40) CPB1CPB2CDK5CDK5R1NLRP3
SCHEMBL12710074 0.92 CPB2 (0.36) CPB1CPB2CDK5CDK5R1NLRP3
SCHEMBL14701744 0.84 HTR4 (0.34) CPB1CPB2NLRP3
SCHEMBL23136938 0.82 CPB1 (0.36) CPB1CPB2CDK5CDK5R1NLRP3
SCHEMBL25590432 0.80 CYP11B2 (0.39) CPB1CPB2NLRP3
SCHEMBL19589366 0.80 DRD2 (0.40) CPB1CPB2NLRP3
SCHEMBL24495989 0.80 CCNT1 (0.32) CCNT1CDK9
SCHEMBL19732476 0.78 KDM2B (0.45) CPB1CCNT1CDK9WDR5
SCHEMBL24936212 0.78 KDM2B (0.45) CPB1CCNT1CDK9WDR5

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
WO-2023096928-A1 HETERO-ATOM CONTAINING COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-06-01 WO disclosed
US-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. 2021-03-25 US disclosed
US-9284350-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2016-03-15 US disclosed
US-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC. (CA) 2013-02-14 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-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF ATF1, MAP3K1, ROCK1 CPB1 2530/4885CPB2 3221/4885CDK5 1719/4885
US-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 CPB1 2492/4885CPB2 3960/4885CDK5 2613/4885

“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.