SCHEMBL18216475

SCHEMBL18216475

O=C(NCCN1CC2(CCO2)C1)c1nc[nH]c1C(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(F)cc2Cl)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALPL P05186 1/20 0.33
▸ ALPI P09923 1/20 0.33
▸ ALPG P10696 1/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ ABL1 P00519 2/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MCHR1 Q99705 1/20 0.32

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
SCHEMBL18216477 0.88 LMNA (0.44) CHRM4KMT2ASMN1; SMN2
SCHEMBL18216276 0.87 MAPT (0.42) CHRM4HPGDPOLBMAPTKCNH2
SCHEMBL20205264 0.86 CHRM4 (0.38) CHRM4HPGDPOLBMAPTALPL
SCHEMBL18216319 0.85 CHRM4 (0.39) CHRM4HPGDPOLBMAPTALPL
SCHEMBL20201143 0.84 HPGD (0.43) CHRM4HPGDPOLBMAPTABL1
SCHEMBL20201142 0.83 HPGD (0.49) CHRM4HPGDPOLBMAPTABL1
SCHEMBL20205084 0.83 HPGD (0.42) CHRM4HPGDMAPTALDH1A1ALOX15
SCHEMBL18216473 0.83 HPGD (0.43) CHRM4HPGDPOLBMAPTALDH1A1
SCHEMBL20201145 0.82 HPGD (0.41) CHRM4HPGDPOLBMAPTALPL
SCHEMBL20201146 0.81 HPGD (0.42) CHRM4HPGDPOLBMAPTALPL

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 3 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 claimed
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 — — US disclosed
WO-2016177658-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-10 — — WO 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 CHRM4 2150/4885HPGD 565/4885POLB 3067/4885

“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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