SCHEMBL4228629

SCHEMBL4228629

CCN1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HPGD P15428 2/20 0.57
KMT2A Q03164 2/20 0.54
BLM P54132 1/20 0.54
HSD11B1 P28845 1/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
DUSP3 P51452 1/20 0.50
PTPN5 P54829 1/20 0.50
PTPN11 Q06124 1/20 0.50
RBP4 P02753 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL4293002 0.88 BLM (0.70) ALDH1A1SMN1; SMN2HPGDKMT2ABLM
SCHEMBL10195012 0.86 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2HPGDKMT2APKM
SCHEMBL9133746 0.85 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2HPGDKMT2ABLM
SCHEMBL521273 0.85 CA12 (0.58) ALDH1A1SMN1; SMN2HPGDKMT2ABLM
SCHEMBL3226386 0.85 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HPGDKMT2ABLM
SCHEMBL10282543 0.85 ALDH1A1 (0.69) ALDH1A1HPGDKMT2AKDM4EDUSP3
SCHEMBL2965532 0.85 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HPGDKMT2ABLM
SCHEMBL2017162 0.85 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HPGDKMT2ABLM
SCHEMBL14595391 0.84 LMNA (0.62) ALDH1A1SMN1; SMN2KMT2ABLMHSD11B1
SCHEMBL10294623 0.83 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HPGDKDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
CN-101198604-A NPY antagonists, their preparation and use CEREP (FR) 2008-06-11 CN disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
US-20070015766-A1 Quinoline Derivatives as NK-3 and NK-2 Antagonists GlaxoSmithKline S.P.A. & Laboratoire 2007-01-18 US disclosed
US-20070015766-A1 Quinoline Derivatives as NK-3 and NK-2 Antagonists GlaxoSmithKline S.P.A. & Laboratoire 2007-01-18 US disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 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 (2 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R ALDH1A1 4542/4885SMN1; SMN2 1538/4885HPGD 1474/4885
US-20070015766-A1 Quinoline Derivatives as NK-3 and NK-2 Antagonists KCNK3, KCNQ3, ACKR3 ALDH1A1 3182/4885SMN1; SMN2 4432/4885HPGD 2817/4885

“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.