SCHEMBL21188034

SCHEMBL21188034

CC(C)[C@@H]1CNCC[C@H]1C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.31
TRPM8 Q7Z2W7 2/20 0.31
KCNH2 Q12809 1/20 0.31
GBA1 P04062 1/20 0.30

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
SCHEMBL24267777 1.00 TRPA1 (0.31) TRPA1TRPM8KCNH2GBA1
SCHEMBL21744770 1.00 TRPA1 (0.31) TRPA1TRPM8KCNH2GBA1
SCHEMBL24267942 1.00 TRPA1 (0.31) TRPA1TRPM8KCNH2GBA1
SCHEMBL25091193 1.00 TRPA1 (0.31) TRPA1TRPM8KCNH2GBA1
SCHEMBL9920196 1.00 TRPA1 (0.31) TRPA1TRPM8KCNH2GBA1
SCHEMBL29299542 0.86 SLC6A1 (0.33)
SCHEMBL18523966 0.83 TRPA1 (0.32) TRPA1TRPM8
SCHEMBL20676098 0.81 TRPA1 (0.31) TRPA1TRPM8KCNH2
SCHEMBL19122839 0.81 TRPA1 (0.31) TRPA1TRPM8KCNH2
SCHEMBL18309924 0.81 TRPA1 (0.31) TRPA1TRPM8KCNH2

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-11311542-B2 Inhibitors of cyclin dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2022-04-26 US disclosed
US-20210379065-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2021-12-09 US disclosed
US-10414772-B2 Pyrazolo[1,5-A]pyrimidine-5,7-diamine compounds as CDK inhibitors and their therapeutic use IMPERIAL INNOVATIONS LIMITED (GB) 2019-09-17 US disclosed
WO-2019143719-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 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 (3 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-11311542-B2 Inhibitors of cyclin dependent kinase 7 (CDK7) CDK7, CDK3, CCNK TRPA1 4678/4885TRPM8 2429/4885KCNH2 3823/4885
US-20210379065-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CCNK TRPA1 4678/4885TRPM8 2429/4885KCNH2 3823/4885
US-10414772-B2 Pyrazolo[1,5-A]pyrimidine-5,7-diamine compounds as CDK inhibitors and their therapeutic use CDK10, CDK1, CDK20 TRPA1 3630/4885TRPM8 1642/4885KCNH2 3715/4885

“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.