SCHEMBL20205084

SCHEMBL20205084

O=C(NCCC1CC1)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 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CHRM4 P08173 1/20 0.38
▸ ALOX15 P16050 6/20 0.38
▸ CRHR1 P34998 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ SCD O00767 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 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
SCHEMBL20201142 0.92 HPGD (0.49) HPGDCHRM4ALOX15MAPTMEN1
SCHEMBL20201143 0.92 HPGD (0.43) HPGDL3MBTL1CHRM4ALOX15MAPT
SCHEMBL20201146 0.90 HPGD (0.42) HPGDL3MBTL1CHRM4ALOX15CRHR1
SCHEMBL18216473 0.90 HPGD (0.43) HPGDL3MBTL1CHRM4ALOX15MAPT
SCHEMBL20201145 0.89 HPGD (0.41) HPGDL3MBTL1CHRM4MAPTMEN1
SCHEMBL20205281 0.89 L3MBTL1 (0.41) HPGDL3MBTL1CHRM4ALOX15MAPT
SCHEMBL20205096 0.88 HPGD (0.40) HPGDL3MBTL1CHRM4ALOX15MAPT
SCHEMBL20205023 0.87 HPGD (0.40) HPGDL3MBTL1CHRM4MAPTMEN1
SCHEMBL18216464 0.87 KMT2A (0.47) HPGDCHRM4ALOX15MAPTMEN1
SCHEMBL18216276 0.86 MAPT (0.42) HPGDL3MBTL1CHRM4MAPTMEN1

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 565/4885L3MBTL1 2341/4885CHRM4 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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