SCHEMBL631684

SCHEMBL631684

CC1(C)CC(NC(=O)[C@@H](N)Cc2ccc(OCCCF)cc2)CC(C)(C)N1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
RECQL P46063 1/20 0.51
EZH2 Q15910 4/20 0.46
TSHR P16473 1/20 0.45
PKM P14618 1/20 0.44
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
SLC2A1 P11166 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
HTT P42858 1/20 0.39
RCE1 Q9Y256 1/20 0.39

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
SCHEMBL630660 0.83 TSHR (0.57) POLBKMT2AMEN1MAPTRECQL
SCHEMBL5169287 0.82 POLB (0.47) POLBKMT2AMEN1MAPTRECQL
SCHEMBL6166782 0.80 POLB (0.62) POLBKMT2AEZH2TSHRPKM
SCHEMBL17800950 0.78 POLB (0.57) POLBKMT2AMEN1MAPTRECQL
SCHEMBL25060205 0.78 POLB (0.57) POLBKMT2AMEN1MAPTRECQL
Hydrochloric Acid SCHEMBL16816653 0.77 ITGB3 (0.53) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL16816654 0.77 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL631683 0.74 MEN1 (0.45) POLBKMT2AMEN1MAPTRECQL
SCHEMBL25060405 0.73 POLB (0.46) POLBKMT2AMEN1MAPTRECQL
SCHEMBL630382 0.72 ACACB (0.50) ITGB3ITGA2B

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 POLB 4105/4885KMT2A 4807/4885MEN1 4809/4885

“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.