SCHEMBL6154399

SCHEMBL6154399

COc1cc(O[C@H]2CC[C@H](N)CC2)c(Cl)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 1/20 0.41
▸ AR P10275 3/20 0.39
▸ PGR P06401 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ ABL2 P42684 1/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ CACNB4 O00305 1/20 0.36
▸ CACNA1A O00555 1/20 0.36
▸ CACNA1G O43497 1/20 0.36
▸ CACNG3 O60359 1/20 0.36
▸ CACNA1F O60840 1/20 0.36
▸ CACNA1H O95180 1/20 0.36
▸ CACNB3 P54284 1/20 0.36
▸ CACNA2D1 P54289 1/20 0.36
▸ CACNG7 P62955 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36

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
SCHEMBL6154408 1.00 IDH1 (0.41) IDH1ARPGRKDM4EUSP2
SCHEMBL6153696 0.82 SCN9A (0.36) ARPGR
SCHEMBL6153695 0.82 SCN9A (0.36) ARPGR
SCHEMBL31498678 0.80 AR (0.50) ARPGRKDM4EUSP2ALDH1A1
SCHEMBL6153758 0.79 CDK7 (0.41) ARPGRKDM4EUSP2ALDH1A1
SCHEMBL6153762 0.79 CDK7 (0.41) ARPGRKDM4EUSP2ALDH1A1
Hydrochloric Acid SCHEMBL31588028 0.78 AR (0.49) ARPGRKDM4EUSP2ALDH1A1
SCHEMBL6153891 0.75 PDE4A (0.41) GAA
SCHEMBL6153894 0.75 PDE4A (0.41) GAA
SCHEMBL27169508 0.74 HRH1 (0.43) ARPGRFPR2PROKR1

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-20050182040-A1 Benzamide derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-18 — — US disclosed
EP-1500643-A1 BENZAMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 — — EP 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-20050182040-A1 Benzamide derivatives ROCK1, ROCK2, NHERF1 IDH1 348/4885AR 1667/4885PGR 1690/4885

“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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