SCHEMBL20618779

SCHEMBL20618779

CN(C)CCn1c(C(C)(C)C)cc2ccc(C(C)(C)C)cc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ CFTR P13569 1/20 0.39
▸ CNR2 P34972 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2C19 P33261 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ CCR9 P51686 3/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NR1I2 O75469 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
SCHEMBL21101086 0.83 CNR2 (0.39) KDM4ECNR2CYP1A2ALDH1A1POLB
SCHEMBL21341616 0.80 CCR9 (0.38) KDM4ECYP1A2ALDH1A1CYP2C19KCNH2
SCHEMBL24943811 0.79 CCR9 (0.38) KDM4ECNR2ALDH1A1POLBCCR9
SCHEMBL21341612 0.78 CCR9 (0.39) KDM4ECYP1A2ALDH1A1CYP2C19KCNH2
SCHEMBL21341334 0.76 CCR9 (0.39) KDM4ECYP1A2ALDH1A1POLBCYP2C19
SCHEMBL21341336 0.75 KCNH2 (0.38) KDM4ECFTRCYP1A2ALDH1A1CYP2C19
SCHEMBL20618778 0.74 KCNH2 (0.41) CYP1A2ALDH1A1CYP2C19KCNH2HTR1D
SCHEMBL21026150 0.72 HTR2A (0.41) KDM4ECNR2CYP1A2CYP2C19KCNH2
SCHEMBL15828656 0.72 HTR2C (0.58) KDM4EKCNH2HTR2AHTR2CHTR1D
SCHEMBL21341402 0.70 CFTR (0.37) KDM4ECFTRCNR2CYP1A2ALDH1A1

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-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 — — 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
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
US-20190002442-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-01-03 — — 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 (4 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 KDM4E 2518/4885CFTR 1064/4885CNR2 3953/4885
US-20190002442-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF ROCK1, RHOA, ROCK2 KDM4E 2518/4885CFTR 1064/4885CNR2 3953/4885
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA KDM4E 2224/4885CFTR 1123/4885CNR2 3964/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA KDM4E 2224/4885CFTR 1123/4885CNR2 3964/4885

“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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