SCHEMBL20201146

SCHEMBL20201146

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 5/20 0.39
▸ CHRM4 P08173 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ JAK1 P23458 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ ALPI P09923 1/20 0.36
▸ ALPG P10696 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CRHR1 P34998 1/20 0.36
▸ POLB P06746 1/20 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
SCHEMBL20205281 0.92 L3MBTL1 (0.41) HPGDALOX15CHRM4MAPTKMT2A
SCHEMBL20201142 0.90 HPGD (0.49) HPGDALOX15CHRM4MAPTKMT2A
SCHEMBL20205084 0.90 HPGD (0.42) HPGDALOX15CHRM4MAPTKMT2A
SCHEMBL18216473 0.90 HPGD (0.43) HPGDALOX15CHRM4MAPTKMT2A
SCHEMBL20201143 0.90 HPGD (0.43) HPGDALOX15CHRM4MAPTKMT2A
SCHEMBL20205137 0.90 L3MBTL1 (0.40) HPGDCHRM4MAPTKMT2AMEN1
SCHEMBL20201145 0.88 HPGD (0.41) HPGDCHRM4MAPTKMT2AMEN1
SCHEMBL18216464 0.87 KMT2A (0.47) HPGDALOX15CHRM4MAPTKMT2A
SCHEMBL20205096 0.86 HPGD (0.40) HPGDALOX15CHRM4MAPTKMT2A
SCHEMBL20205023 0.85 HPGD (0.40) HPGDCHRM4MAPTKMT2AMEN1

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-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 — — US disclosed
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 565/4885ALOX15 812/4885CHRM4 2150/4885

“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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