SCHEMBL18216497

SCHEMBL18216497

O=C(N[C@H]1CC[C@H](C(=O)Nc2ccc(F)cc2Cl)CC1)c1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ ITGB1 P05556 1/20 0.45
▸ ITGA4 P13612 1/20 0.45
▸ RAB9A P51151 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ACKR3 P25106 1/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ SMYD3 Q9H7B4 1/20 0.42
▸ HTR3E A5X5Y0 2/20 0.42
▸ HTR3B O95264 2/20 0.42
▸ HTR3A P46098 2/20 0.42
▸ HTR3D Q70Z44 2/20 0.42
▸ HTR3C Q8WXA8 2/20 0.42
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CDK7 P50613 1/20 0.41
▸ DRD4 P21917 1/20 0.41

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
SCHEMBL20185024 1.00 HPGD (0.51) HPGDKMT2AALDH1A1ITGB1ITGA4
SCHEMBL20184982 0.83 NPC1 (0.56) HPGDRAB9AACKR3NPC1SMYD3
SCHEMBL18216498 0.83 NPC1 (0.56) HPGDRAB9AACKR3NPC1SMYD3
SCHEMBL18216438 0.79 HPGD (0.55) HPGDKMT2ARAB9ANPC1HTT
SCHEMBL18208241 0.78 HPGD (0.56) HPGDKMT2AALDH1A1RAB9ANPC1
SCHEMBL18208239 0.78 HPGD (0.56) HPGDKMT2AALDH1A1RAB9ANPC1
SCHEMBL20185026 0.77 DYRK1A (0.54) HPGD
SCHEMBL18216206 0.77 DYRK1A (0.54) HPGD
SCHEMBL20185001 0.76 HPGD (0.45) HPGDKMT2ARAB9ADRD4
SCHEMBL18216507 0.76 ALDH1A1 (0.52) HPGDKMT2AALDH1A1HTR3EHTR3B

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 4 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
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 HPGD 565/4885KMT2A 3502/4885ALDH1A1 2194/4885

“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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