SCHEMBL631406

SCHEMBL631406

CN(C)c1ccc(NC(=O)[CH]Cc2ccc([C@H](O)C(N)=O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.45
CNR1 P21554 1/20 0.41
F7 P08709 2/20 0.41
MAPT P10636 9/20 0.40
SMN1; SMN2 Q16637 7/20 0.40
ALDH1A1 P00352 7/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 3/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
TP53 P04637 3/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
MCL1 Q07820 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
KLKB1 P03952 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL631095 0.81 ALDH1A1 (0.51) MAPTSMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL630339 0.80 MAPT (0.47) NR4A1CNR1F7MAPTSMN1; SMN2
SCHEMBL631175 0.77 ALDH1A1 (0.47) F7MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL4176097 0.77 ALDH1A1 (0.54) MAPTALDH1A1KMT2AGAANPC1
SCHEMBL5171523 0.72 CNR1 (0.39) NR4A1CNR1F7MAPTSMN1; SMN2
SCHEMBL5171535 0.68 CNR1 (0.45) CNR1F7MAPTSMN1; SMN2ALDH1A1
SCHEMBL5171978 0.67 MAPT (0.46) NR4A1MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL1379670 0.66 MAPT (0.66) NR4A1MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL631407 0.66 SMN1; SMN2 (0.45) F7MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL29522596 0.66 ALDH1A1 (0.60) NR4A1MAPTSMN1; SMN2ALDH1A1KMT2A

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
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
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 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-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF FKBP1A, FKBP1B, FKBP3 NR4A1 1054/4885CNR1 860/4885F7 3794/4885

“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.