SCHEMBL484618

SCHEMBL484618

CC(C)CN1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(NC(=O)c1cc(C(F)(F)F)ccc1Cl)CC3)C2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP3A4 P08684 5/20 0.44
USP2 O75604 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 1/20 0.44
CYP2D6 P10635 6/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CCR2 P41597 3/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
CRHR1 P34998 5/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL484668 0.96 CYP2C9 (0.51) TSHRCYP2C9CYP3A4USP2CYP1A2
SCHEMBL484497 0.93 MRGPRX4 (0.38) TSHRCYP2C9CYP3A4USP2CYP1A2
SCHEMBL484762 0.89 CYP2C9 (0.42) TSHRCYP2C9CYP3A4USP2CYP2D6
SCHEMBL484517 0.88 CRHR1 (0.42) CRHR1
SCHEMBL484593 0.88 MRGPRX4 (0.40) TSHRCYP2C9CYP3A4USP2CYP1A2
SCHEMBL2818249 0.88 NAMPT (0.41) KMT2ACCR2MRGPRX4CRHR1PDE4A
SCHEMBL485032 0.87 USP2 (0.42) TSHRCYP2C9CYP3A4USP2CYP1A2
SCHEMBL484919 0.87 CYP3A4 (0.40) TSHRCYP3A4USP2CYP1A2CYP2D6
SCHEMBL484910 0.86 USP2 (0.52) TSHRCYP2C9CYP3A4USP2CYP1A2
SCHEMBL484764 0.86 CRHR1 (0.40) TSHRCYP3A4USP2CYP1A2CYP2D6

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 TSHR 338/4885CYP2C9 2259/4885CYP3A4 3781/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN TSHR 338/4885CYP2C9 2259/4885CYP3A4 3781/4885

“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.