SCHEMBL18216477

SCHEMBL18216477

O=C(NCCN1CCOCC1)c1nc[nH]c1C(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(F)cc2Cl)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ BCL3 P20749 2/20 0.43
▸ PDE4B Q07343 1/20 0.41
▸ MAPK14 Q16539 2/20 0.41
▸ CNR1 P21554 2/20 0.40
▸ CNR2 P34972 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ CD274 Q9NZQ7 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ CHRM4 P08173 1/20 0.39
▸ ULK1 O75385 1/20 0.39

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
SCHEMBL18216276 0.92 MAPT (0.42) KMT2ASMN1; SMN2PDE4BEPHX2CHRM4
SCHEMBL20205264 0.91 CHRM4 (0.38) LMNAKMT2ASMN1; SMN2BCL3PDE4B
SCHEMBL18216319 0.91 CHRM4 (0.39) PDE4BCNR1CNR2CHRM4
SCHEMBL18216475 0.88 CHRM4 (0.36) KMT2ASMN1; SMN2CHRM4
SCHEMBL20205221 0.87 POLB (0.44) KMT2ACHRM4
SCHEMBL20201143 0.87 HPGD (0.43) KMT2ASMN1; SMN2EPHX2CHRM4
SCHEMBL20201142 0.85 HPGD (0.49) KMT2ASMN1; SMN2CHRM4
SCHEMBL20205084 0.85 HPGD (0.42) KMT2ASMN1; SMN2CHRM4
SCHEMBL18216473 0.85 HPGD (0.43) KMT2ASMN1; SMN2CHRM4
SCHEMBL20201145 0.84 HPGD (0.41) LMNAKMT2ASMN1; SMN2MAPK14CHRM4

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
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 LMNA 423/4885KMT2A 3502/4885SMN1; SMN2 1153/4885

“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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