SCHEMBL630624

SCHEMBL630624

COc1ccc(C[C@H](N)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.65
ALDH1A1 P00352 3/20 0.60
RAB9A P51151 1/20 0.58
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HIF1A Q16665 1/20 0.54
EPAS1 Q99814 1/20 0.54
HTT P42858 1/20 0.52
BLM P54132 1/20 0.52
REV1 Q9UBZ9 1/20 0.51

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
SCHEMBL631403 0.87 MAPT (0.65) MAPTALDH1A1RAB9AKDM4E
SCHEMBL2987608 0.87 MAPT (0.65) MAPTALDH1A1RAB9AKDM4E
SCHEMBL28046646 0.86 PTGS2 (0.57)
SCHEMBL28046648 0.86 PTGS2 (0.57)
SCHEMBL631176 0.85 ALDH1A1 (0.53) MAPTALDH1A1KDM4E
SCHEMBL629830 0.84 MAPT (0.52) MAPTALDH1A1RAB9A
SCHEMBL630967 0.83 MAPT (0.59) MAPTALDH1A1MEN1KMT2AHIF1A
SCHEMBL5169340 0.80 MAPT (0.60) MAPTALDH1A1RAB9AKDM4EMEN1
SCHEMBL12733161 0.80 ACACB (0.55) MAPTALDH1A1RAB9A
SCHEMBL6755308 0.80 ACACB (0.55) MAPTALDH1A1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP claimed
US-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 US claimed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US claimed
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP claimed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 WO claimed
US-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 US disclosed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 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-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF FKBP1A, FKBP1B, FKBP3 MAPT 192/4885ALDH1A1 3038/4885RAB9A 1603/4885

“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.