SCHEMBL12056140

SCHEMBL12056140

CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C2Cc3cc(Cl)ccc3N2)[C@H](NC(=O)C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 5/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CNR1 P21554 2/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ EPHX2 P34913 2/20 0.37
▸ F10 P00742 4/20 0.36
▸ AHCY P23526 1/20 0.36
▸ MAPK8 P45983 2/20 0.36
▸ ALOX15 P16050 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
SCHEMBL4270190 0.80 F10 (0.57) F10
SCHEMBL12507531 0.77 F10 (0.36) F10
SCHEMBL12507710 0.76 STS (0.41) STSALDH1A1NPC1MAPTMAPK1
SCHEMBL12507971 0.72 F10 (0.71) F10
SCHEMBL10280029 0.72 CCR1 (0.39) ALDH1A1HTTL3MBTL1EPHX2
SCHEMBL11959792 0.71 DRD2 (0.34) ALDH1A1L3MBTL1EPHX2MAPK8
SCHEMBL14306887 0.70 F10 (0.38) F10
SCHEMBL1504116 0.69 F10 (0.61) F10
SCHEMBL12507711 0.68 MAOA (0.33) STSL3MBTL1EPHX2F10
SCHEMBL12056023 0.68 F10 (0.67) F10

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-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 — — US disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 — — 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 (2 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-20110077266-A1 Diamine Derivatives F2, TFPI, F3 STS 2128/4885ALDH1A1 793/4885NPC1 4535/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R STS 376/4885ALDH1A1 3734/4885NPC1 3454/4885

“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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