SCHEMBL20205096

SCHEMBL20205096

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.40
▸ CHRM4 P08173 1/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ POLB P06746 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ GRM4 Q14833 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35

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
SCHEMBL20205023 0.90 HPGD (0.40) HPGDCHRM4KMT2AMEN1MAPT
SCHEMBL18216418 0.89 KMT2A (0.44) HPGDCHRM4KMT2AMEN1MAPT
SCHEMBL18216473 0.89 HPGD (0.43) HPGDCHRM4KMT2AMEN1MAPT
SCHEMBL20201143 0.89 HPGD (0.43) HPGDCHRM4KMT2AMEN1MAPT
SCHEMBL20201145 0.89 HPGD (0.41) HPGDCHRM4KMT2AMEN1MAPT
SCHEMBL20201142 0.88 HPGD (0.49) HPGDCHRM4KMT2AMEN1MAPT
SCHEMBL20205084 0.88 HPGD (0.42) HPGDCHRM4KMT2AMEN1MAPT
SCHEMBL20205140 0.88 HPGD (0.39) HPGDCHRM4KMT2AMEN1MAPT
SCHEMBL18216464 0.87 KMT2A (0.47) HPGDCHRM4KMT2AMEN1MAPT
SCHEMBL20205281 0.86 L3MBTL1 (0.41) HPGDCHRM4KMT2AMEN1MAPT

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 565/4885CHRM4 2150/4885KMT2A 3502/4885

“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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