SCHEMBL631407

SCHEMBL631407

CC(O)c1ccc(C[C@H](N)C(=O)Nc2ccc(N(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
ACACB O00763 1/20 0.43
ROCK2 O75116 1/20 0.42
BACE1 P56817 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
ALDH1A1 P00352 2/20 0.41
F7 P08709 1/20 0.41
HPGD P15428 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
SCHEMBL5162575 0.84 BACE1 (0.56) SMN1; SMN2MAPTKMT2ANPC1RAB9A
SCHEMBL5162582 0.84 BACE1 (0.56) SMN1; SMN2MAPTKMT2ANPC1RAB9A
SCHEMBL630340 0.82 NPC1 (0.60) SMN1; SMN2MAPTGAAKMT2ANPC1
SCHEMBL631096 0.81 MAPT (0.53) MAPTKMT2AACACBHDAC8ALDH1A1
SCHEMBL5171978 0.79 MAPT (0.46) SMN1; SMN2MAPTGAAKMT2ANPC1
SCHEMBL4746925 0.78 MAPT (0.73) SMN1; SMN2MAPTGAACRHBPCRHR2
SCHEMBL10792997 0.77 AAK1 (0.62) SMN1; SMN2MAPTGAAKMT2ANPC1
Hydrochloric Acid SCHEMBL4746352 0.77 MAPT (0.71) SMN1; SMN2MAPTGAACRHBPCRHR2
Hydrochloric Acid SCHEMBL4746985 0.77 MAPT (0.71) SMN1; SMN2MAPTGAACRHBPCRHR2
SCHEMBL631176 0.77 ALDH1A1 (0.53) SMN1; SMN2MAPTGAAACACBALDH1A1

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 SMN1; SMN2 498/4885MAPT 192/4885GAA 2479/4885

“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.