SCHEMBL20205264

SCHEMBL20205264

O=C(NCCN1CCCOC1)c1nc[nH]c1C(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(F)cc2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ KCNH2 Q12809 2/20 0.35
▸ MCHR1 Q99705 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ BCL3 P20749 1/20 0.35
▸ ACKR3 P25106 2/20 0.35
▸ ALPL P05186 1/20 0.35
▸ ALPI P09923 1/20 0.35
▸ ALPG P10696 1/20 0.35
▸ PDE4B Q07343 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ DRD4 P21917 1/20 0.34

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 0.91 LMNA (0.44) CHRM4KMT2ASMN1; SMN2LMNABCL3
SCHEMBL18216276 0.91 MAPT (0.42) CHRM4MAPTHPGDPOLBKCNH2
SCHEMBL18216319 0.87 CHRM4 (0.39) CHRM4MAPTHPGDPOLBACKR3
SCHEMBL18216475 0.86 CHRM4 (0.36) CHRM4MAPTHPGDPOLBKCNH2
SCHEMBL20201143 0.86 HPGD (0.43) CHRM4MAPTHPGDPOLBKMT2A
SCHEMBL20201142 0.83 HPGD (0.49) CHRM4MAPTHPGDPOLBKMT2A
SCHEMBL18216313 0.83 ADORA2B (0.40) MAPTPOLBKMT2ASMN1; SMN2PDE4B
SCHEMBL20205084 0.83 HPGD (0.42) CHRM4MAPTHPGDKMT2ASMN1; SMN2
SCHEMBL18216473 0.83 HPGD (0.43) CHRM4MAPTHPGDPOLBKMT2A
SCHEMBL20205096 0.82 HPGD (0.40) CHRM4MAPTHPGDPOLBKMT2A

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 CHRM4 2150/4885MAPT 4434/4885HPGD 565/4885

“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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