SCHEMBL484910

SCHEMBL484910

N#Cc1ccc(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2cc(C(F)(F)F)ccc2Cl)CC4)C3)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 8/20 0.52
CYP2D6 P10635 7/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
CYP3A4 P08684 13/20 0.50
CYP1A2 P05177 6/20 0.50
TSHR P16473 5/20 0.50
CYP2C19 P33261 5/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 2/20 0.43
ALDH1A1 P00352 4/20 0.42
GLA P06280 1/20 0.42
CYP2C9 P11712 5/20 0.42
MAPK1 P28482 2/20 0.42
PRKAA2 P54646 1/20 0.41
GPR183 P32249 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL484560 0.96 USP2 (0.57) USP2CYP2D6SMN1; SMN2CYP3A4CYP1A2
SCHEMBL485200 0.94 USP2 (0.44) USP2CYP2D6SMN1; SMN2CYP3A4CYP1A2
SCHEMBL484593 0.90 MRGPRX4 (0.40) USP2CYP2D6SMN1; SMN2CYP3A4CYP1A2
SCHEMBL484736 0.90 USP2 (0.49) USP2CYP2D6SMN1; SMN2CYP3A4CYP1A2
SCHEMBL484732 0.89 CYP3A4 (0.48) USP2CYP2D6SMN1; SMN2CYP3A4CYP1A2
SCHEMBL484813 0.89 USP2 (0.39) USP2CYP2D6SMN1; SMN2CYP3A4CYP1A2
SCHEMBL484361 0.88 MRGPRX4 (0.40) USP2CYP2D6SMN1; SMN2CYP3A4CYP1A2
SCHEMBL2818005 0.86 MRGPRX4 (0.42) USP2CYP2D6SMN1; SMN2CYP3A4CYP1A2
SCHEMBL484919 0.86 CYP3A4 (0.40) USP2CYP2D6CYP3A4CYP1A2TSHR
SCHEMBL484372 0.86 CYP3A4 (0.49) USP2CYP2D6SMN1; SMN2CYP3A4CYP1A2

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.