SCHEMBL484809

SCHEMBL484809

N#Cc1ccc(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2ccccc2Cl)CC4)CC3)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 8/20 0.53
CYP3A4 P08684 8/20 0.53
CYP2D6 P10635 6/20 0.53
SMN1; SMN2 Q16637 7/20 0.51
TSHR P16473 6/20 0.50
CYP2C9 P11712 4/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2C19 P33261 4/20 0.47
ALDH1A1 P00352 4/20 0.47
GLA P06280 1/20 0.47
MAPK1 P28482 3/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PRKAA2 P54646 3/20 0.45
PRKAB2 O43741 2/20 0.45
PRKAG1 P54619 2/20 0.45
PRKAA1 Q13131 2/20 0.45
PRKAG3 Q9UGI9 2/20 0.45
PRKAG2 Q9UGJ0 2/20 0.45

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
SCHEMBL484732 0.96 CYP3A4 (0.48) USP2CYP3A4CYP2D6SMN1; SMN2TSHR
SCHEMBL484474 0.94 CYP2D6 (0.47) USP2CYP3A4CYP2D6SMN1; SMN2TSHR
SCHEMBL484596 0.93 ALDH1A1 (0.45) USP2CYP3A4CYP2D6SMN1; SMN2TSHR
SCHEMBL484584 0.89 CYP3A4 (0.43) USP2CYP3A4CYP2D6SMN1; SMN2TSHR
SCHEMBL485059 0.89 TAS1R3 (0.43) USP2CYP3A4CYP2D6SMN1; SMN2TSHR
SCHEMBL484560 0.89 USP2 (0.57) USP2CYP3A4CYP2D6SMN1; SMN2TSHR
SCHEMBL484340 0.89 CYP3A4 (0.52) USP2CYP3A4CYP2D6SMN1; SMN2TSHR
SCHEMBL484981 0.88 USP2 (0.54) USP2CYP3A4CYP2D6SMN1; SMN2TSHR
SCHEMBL484506 0.88 CYP2D6 (0.45) USP2CYP3A4CYP2D6TSHRCYP2C9
SCHEMBL484876 0.86 CHRM2 (0.53) CYP3A4CYP2D6TSHRCYP2C9CYP1A2

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 10 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 claimed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US claimed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP claimed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US claimed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO claimed
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 USP2 4864/4885CYP3A4 3781/4885CYP2D6 1926/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN USP2 4864/4885CYP3A4 3781/4885CYP2D6 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.