SCHEMBL21101086

SCHEMBL21101086

CCc1cc2ccc(C(C)(C)C)cc2n1CCN(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP1A2 P05177 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ CCR9 P51686 3/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ RORA P35398 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ RORB Q92753 1/20 0.33

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
SCHEMBL20618779 0.83 KDM4E (0.39) CNR2KDM4ECYP1A2ALDH1A1POLB
SCHEMBL24943824 0.80 CCR9 (0.39) ALDH1A1KCNH2CCR9PGRRORA
SCHEMBL24058987 0.72 CYP1A2 (0.36) CNR2CYP1A2ALDH1A1POLBHTR2A
SCHEMBL21026150 0.70 HTR2A (0.41) CNR2KDM4ECYP1A2CYP2C19KCNH2
SCHEMBL21341337 0.70 KCNH2 (0.33) ALDH1A1KCNH2CCR9
SCHEMBL15828656 0.70 HTR2C (0.58) KDM4EKCNH2HTR2AHTR2CHTR1D
SCHEMBL16939090 0.69 KMO (0.50) ALDH1A1TSHR
SCHEMBL21341616 0.68 CCR9 (0.38) KDM4ECYP1A2ALDH1A1CYP2C19KCNH2
SCHEMBL24630639 0.67 OPRM1 (0.37) CNR2CYP1A2ALDH1A1CYP2C19KCNH2
SCHEMBL24630687 0.66 KCNH2 (0.33) ALDH1A1KCNH2HTT

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-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-06-25 — — US disclosed
US-10323023-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-06-18 — — 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-10323023-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof ROCK1, RHOA, ROCK2 CNR2 3953/4885KDM4E 2518/4885CYP1A2 2733/4885
US-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof ROCK1, RHOA, ROCK2 CNR2 3953/4885KDM4E 2518/4885CYP1A2 2733/4885

“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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