SCHEMBL20185001

SCHEMBL20185001

Cn1nc2ccccc2c1C(=O)NC1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.45
▸ CHRM4 P08173 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ DRD4 P21917 4/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ GRM4 Q14833 1/20 0.39
▸ DGAT2 Q96PD7 1/20 0.39
▸ ADRA2A P08913 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL18216509 1.00 HPGD (0.45) HPGDCHRM4POLBRAB9AKMT2A
SCHEMBL18216507 0.84 ALDH1A1 (0.52) HPGDKMT2AGRM4MAPT
SCHEMBL20184965 0.84 ALDH1A1 (0.52) HPGDKMT2AGRM4MAPT
SCHEMBL20142934 0.78 HPGD (0.48) HPGDPOLBRAB9AKMT2APDE4B
SCHEMBL20142932 0.78 HPGD (0.48) HPGDPOLBRAB9AKMT2APDE4B
SCHEMBL20184974 0.77 SMN1; SMN2 (0.53) HPGDCHRM4POLBRAB9ATP53
SCHEMBL18216201 0.77 SMN1; SMN2 (0.53) HPGDCHRM4POLBRAB9ATP53
SCHEMBL18216498 0.76 NPC1 (0.56) HPGDRAB9A
SCHEMBL20143023 0.76 CCNA2 (0.49) HPGDPOLBRAB9APDE4BTP53
SCHEMBL20184982 0.76 NPC1 (0.56) HPGDRAB9A

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 claimed
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 2150/4885POLB 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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