SCHEMBL21341402

SCHEMBL21341402

CN(C)CCn1c(C(C)(C)C)cc2ccc(C(C)(C)C)c(F)c21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.37
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 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
SCHEMBL21341404 0.76 KDM4E (0.30) CYP1A2KDM4ECYP3A4CYP2D6CYP2C19
SCHEMBL20618779 0.70 KDM4E (0.39) CFTRHTR2AHTR2CCNR2CYP1A2
SCHEMBL24944146 0.67 — —
SCHEMBL12755272 0.63 CDK4 (0.31) —
SCHEMBL11947342 0.61 TAAR1 (0.52) CYP1A2CYP2C19ALDH1A1
SCHEMBL10212114 0.59 CA2 (0.39) TDP1CYP1A2KDM4EALDH1A1POLB
SCHEMBL11947321 0.59 KCNH2 (0.50) CYP1A2CYP2C19ALDH1A1
SCHEMBL21101086 0.57 CNR2 (0.39) HTR2AHTR2CCNR2CYP1A2KDM4E
SCHEMBL22278010 0.57 CA2 (0.38) TDP1CYP1A2KDM4ECYP3A4CYP2D6
SCHEMBL21419317 0.57 ALDH1A1 (0.55) CNR2CYP1A2KDM4ECYP2D6CYP2C19

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-11130749-B2 — — 2021-09-28 — — US disclosed
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-09-12 — — 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-11130749-B2 — ROCK1, RHOA, ROCK2 CFTR 777/4885HTR2A 4261/4885HTR2C 4621/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA CFTR 1123/4885HTR2A 4416/4885HTR2C 4700/4885

“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.

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