SCHEMBL484736

SCHEMBL484736

N#Cc1cccc(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2cc(C(F)(F)F)ccc2Cl)CC4)CC3)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 10/20 0.49
CYP2D6 P10635 6/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
CYP3A4 P08684 10/20 0.45
CYP2C19 P33261 3/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CLPP Q16740 1/20 0.40
TSHR P16473 4/20 0.40
CYP2C9 P11712 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 4/20 0.40
MAPK1 P28482 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
GLA P06280 1/20 0.40
HIF1A Q16665 1/20 0.39
CCR2 P41597 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
SCHEMBL485200 0.96 USP2 (0.44) USP2CYP2D6SMN1; SMN2CYP3A4CYP2C19
SCHEMBL484560 0.93 USP2 (0.57) USP2CYP2D6SMN1; SMN2CYP3A4CYP2C19
SCHEMBL484474 0.90 CYP2D6 (0.47) USP2CYP2D6SMN1; SMN2CYP3A4CYP2C19
SCHEMBL484910 0.90 USP2 (0.52) USP2CYP2D6SMN1; SMN2CYP3A4CYP2C19
SCHEMBL484830 0.88 USP2 (0.42) USP2CYP2D6SMN1; SMN2CYP3A4CYP2C19
SCHEMBL2818766 0.87 USP2 (0.44) USP2CYP2D6SMN1; SMN2CYP3A4CYP2C19
SCHEMBL484675 0.87 CYP3A4 (0.55) USP2CYP2D6SMN1; SMN2CYP3A4CYP2C19
SCHEMBL484515 0.87 USP2 (0.46) USP2CYP2D6SMN1; SMN2CYP3A4CYP2C19
SCHEMBL2818242 0.87 CYP3A4 (0.49) USP2CYP2D6SMN1; SMN2CYP3A4CYP2C19
SCHEMBL2819000 0.87 CYP3A4 (0.44) USP2CYP2D6SMN1; SMN2CYP3A4CYP2C19

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 4864/4885CYP2D6 1926/4885SMN1; SMN2 3545/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN USP2 4864/4885CYP2D6 1926/4885SMN1; SMN2 3545/4885

“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.