SCHEMBL20205140

SCHEMBL20205140

COC(C)CNC(=O)c1nc[nH]c1C(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(F)cc2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ DRD4 P21917 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ GSK3B P49841 4/20 0.37
▸ CDK2 P24941 3/20 0.37
▸ GSK3A P49840 3/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ CDK9 P50750 3/20 0.36
▸ CCNT1 O60563 2/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ CDK1 P06493 2/20 0.36

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
SCHEMBL20201145 0.89 HPGD (0.41) HPGDPOLBDRD4ALDH1A1MEN1
SCHEMBL20205023 0.88 HPGD (0.40) HPGDPOLBDRD4ALDH1A1MEN1
SCHEMBL18216473 0.88 HPGD (0.43) HPGDPOLBDRD4ALDH1A1MEN1
SCHEMBL18216418 0.88 KMT2A (0.44) HPGDPOLBDRD4ALDH1A1MEN1
SCHEMBL20205082 0.88 MEN1 (0.37) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL20205096 0.88 HPGD (0.40) HPGDPOLBDRD4ALDH1A1MEN1
SCHEMBL20201142 0.87 HPGD (0.49) HPGDPOLBDRD4ALDH1A1MEN1
SCHEMBL20201143 0.86 HPGD (0.43) HPGDPOLBALDH1A1MEN1KMT2A
SCHEMBL20205137 0.86 L3MBTL1 (0.40) HPGDPOLBDRD4ALDH1A1MEN1
SCHEMBL20201159 0.86 MEN1 (0.41) HPGDPOLBDRD4ALDH1A1MEN1

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 HPGD 565/4885POLB 3067/4885DRD4 1844/4885

“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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