SCHEMBL18209087

SCHEMBL18209087

CN(C)C1CN(C(=O)c2nc[nH]c2C(=O)NC2CCC(C(=O)Nc3ccc(F)cc3Cl)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.40
▸ CHRM4 P08173 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ ALPL P05186 1/20 0.36
▸ ALPI P09923 1/20 0.36
▸ ALPG P10696 1/20 0.36
▸ ALOX15 P16050 5/20 0.35
▸ DRD4 P21917 4/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DRD3 P35462 1/20 0.34

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
SCHEMBL18209084 1.00 HPGD (0.40) HPGDCHRM4ROCK2POLBMAPT
SCHEMBL18208291 0.91 CCNA2 (0.41) HPGDCHRM4POLBMAPTJAK1
SCHEMBL18208293 0.91 CCNA2 (0.41) HPGDCHRM4POLBMAPTJAK1
SCHEMBL18208265 0.88 HPGD (0.43) HPGDCHRM4POLBMAPTALPL
SCHEMBL18208259 0.88 HPGD (0.43) HPGDCHRM4POLBMAPTALPL
SCHEMBL18208353 0.86 HPGD (0.41) HPGDCHRM4POLBMAPTALPL
SCHEMBL18208350 0.86 HPGD (0.41) HPGDCHRM4POLBMAPTALPL
SCHEMBL18208623 0.86 HPGD (0.44) HPGDCHRM4ROCK2POLBMAPT
SCHEMBL20201142 0.86 HPGD (0.49) HPGDCHRM4POLBMAPTALOX15
SCHEMBL20205221 0.86 POLB (0.44) HPGDCHRM4POLBMAPTALPL

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-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 — — US claimed
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 — — US disclosed
EP-3292107-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2018-03-14 — — EP disclosed
WO-2016177658-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-10 — — 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 (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 HPGD 565/4885CHRM4 2150/4885ROCK2 3236/4885

“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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