SCHEMBL485114

SCHEMBL485114

N#Cc1ccc(N2CCC3(CCN(C(=O)O)C3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.47
KCNH2 Q12809 1/20 0.47
CYP2D6 P10635 2/20 0.47
USP2 O75604 3/20 0.47
CYP2C9 P11712 4/20 0.46
CYP2C19 P33261 3/20 0.46
CYP1A2 P05177 2/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
HSD17B10 Q99714 1/20 0.46
EPHX2 P34913 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 2/20 0.45
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44

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
SCHEMBL484627 0.81 CYP11B2 (0.53) ARCYP2D6USP2CYP2C9CYP2C19
SCHEMBL484677 0.81 USP2 (0.50) ARUSP2CYP2C9CYP2C19CYP1A2
SCHEMBL484578 0.81 USP2 (0.50) CYP2D6USP2CYP2C9CYP2C19CYP1A2
SCHEMBL21853959 0.81 PANK3 (0.48) KCNH2
SCHEMBL1779457 0.81 KDM4E (0.59) USP2ALDH1A1KDM4ETP53MEN1
SCHEMBL22914839 0.80 CYP3A4 (0.55) ARKCNH2CYP2D6USP2CYP2C9
SCHEMBL22914762 0.80 CYP2D6 (0.58) ARCYP2D6USP2CYP2C9CYP2C19
SCHEMBL640636 0.78 ITGB3 (0.67) CYP2D6CYP2C9CYP2C19MAPK1ALDH1A1
SCHEMBL22914818 0.78 ALDH1A1 (0.68) CYP2D6USP2CYP2C9CYP2C19CYP1A2
SCHEMBL484535 0.78 CYP3A4 (0.55) CYP2D6USP2CYP2C9CYP2C19CYP1A2

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
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN AR 219/4885KCNH2 257/4885CYP2D6 1926/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN AR 219/4885KCNH2 257/4885CYP2D6 1926/4885

“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.