SCHEMBL20205281

SCHEMBL20205281

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALPL P05186 1/20 0.40
▸ ALPI P09923 1/20 0.40
▸ ALPG P10696 1/20 0.40
▸ NPSR1 Q6W5P4 5/20 0.40
▸ MAPT P10636 5/20 0.40
▸ PDE10A Q9Y233 2/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CHRM4 P08173 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ POLB P06746 4/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ IRAK4 Q9NWZ3 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
SCHEMBL20201146 0.92 HPGD (0.42) L3MBTL1HPGDALPLALPIALPG
SCHEMBL20205137 0.91 L3MBTL1 (0.40) L3MBTL1HPGDALPLALPIALPG
SCHEMBL18216473 0.90 HPGD (0.43) L3MBTL1HPGDNPSR1MAPTMEN1
SCHEMBL20201142 0.89 HPGD (0.49) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL20205084 0.89 HPGD (0.42) L3MBTL1HPGDMAPTMEN1KMT2A
SCHEMBL20201143 0.88 HPGD (0.43) L3MBTL1HPGDMAPTMEN1KMT2A
SCHEMBL20205083 0.88 L3MBTL1 (0.41) L3MBTL1ALPLALPIALPGNPSR1
SCHEMBL20201145 0.88 HPGD (0.41) L3MBTL1HPGDALPLALPIALPG
SCHEMBL18216464 0.87 KMT2A (0.47) HPGDALPLALPIALPGMAPT
SCHEMBL20205096 0.86 HPGD (0.40) L3MBTL1HPGDNPSR1MAPTMEN1

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 L3MBTL1 2341/4885HPGD 565/4885ALPL 3871/4885

“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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