SCHEMBL631183

SCHEMBL631183

CN(C)CCOc1ccc(C[C@H](N)C(=O)NC2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
ALDH1A1 P00352 2/20 0.44
UTS2R Q9UKP6 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
EPHX2 P34913 1/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
LMNA P02545 1/20 0.43
YAP1 P46937 1/20 0.42
TEAD4 Q15561 1/20 0.42
SLC6A9 P48067 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
SCHEMBL631398 0.80 NPC1 (0.62) MAPTKMT2AALDH1A1TSHRHSD17B10
SCHEMBL2985314 0.79 RAB9A (0.57) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL27292622 0.77 ITGB3 (0.64) MAPTMEN1KMT2AKEAP1NFE2L2
SCHEMBL353959 0.76 TDP1 (0.64) ALDH1A1TSHREPHX2
SCHEMBL6164081 0.76 TDP1 (0.64) ALDH1A1TSHREPHX2
SCHEMBL630945 0.75 ACACB (0.47) MAPTEPHX2HRH2HRH1
Hydrochloric Acid SCHEMBL7759004 0.75 TDP1 (0.62) ALDH1A1TSHREPHX2
SCHEMBL6166506 0.74 TDP1 (0.61) ALDH1A1EPHX2
SCHEMBL20474616 0.73 ALDH1A1 (0.62) MEN1KMT2AALDH1A1
SCHEMBL18553983 0.73 ALDH1A1 (0.62) MEN1KMT2AALDH1A1

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 5 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

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 192/4885MEN1 4809/4885KMT2A 4807/4885

“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.