SCHEMBL20205221

SCHEMBL20205221

O=C(N[C@H]1CC[C@H](C(=O)Nc2ccc(F)cc2Cl)CC1)c1[nH]cnc1C(=O)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.44
▸ CHRM4 P08173 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ BMPR1B O00238 2/20 0.39
▸ BMPR1A P36894 2/20 0.39
▸ TGFBR1 P36897 2/20 0.39
▸ ACVRL1 P37023 2/20 0.39
▸ ACVR1 Q04771 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALPL P05186 1/20 0.38
▸ ALPI P09923 1/20 0.38
▸ ALPG P10696 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL18208259 0.93 HPGD (0.43) POLBCHRM4TP53THRBHPGD
SCHEMBL18208265 0.93 HPGD (0.43) POLBCHRM4TP53THRBHPGD
SCHEMBL18208330 0.90 HPGD (0.40) POLBCHRM4HPGDBMPR1BBMPR1A
SCHEMBL18208331 0.90 HPGD (0.40) POLBCHRM4HPGDBMPR1BBMPR1A
SCHEMBL18208353 0.88 HPGD (0.41) POLBCHRM4HPGDMAPTALPL
SCHEMBL18208350 0.88 HPGD (0.41) POLBCHRM4HPGDMAPTALPL
SCHEMBL20201142 0.87 HPGD (0.49) POLBCHRM4HPGDMAPTKMT2A
SCHEMBL18216477 0.87 LMNA (0.44) CHRM4KMT2A
SCHEMBL18208293 0.86 CCNA2 (0.41) POLBCHRM4TP53THRBHPGD
SCHEMBL18208291 0.86 CCNA2 (0.41) POLBCHRM4TP53THRBHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 — — 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 (1 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-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES C1R, C9, C1S POLB 3067/4885CHRM4 2150/4885TP53 24/4885

“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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