SCHEMBL484668

SCHEMBL484668

CC(C)CN1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(NC(=O)c1cc(C(F)(F)F)ccc1Cl)CC3)CC2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.51
TSHR P16473 3/20 0.51
CYP2D6 P10635 4/20 0.45
CYP3A4 P08684 6/20 0.42
USP2 O75604 5/20 0.42
CYP1A2 P05177 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CCR2 P41597 3/20 0.41
CYP2C19 P33261 1/20 0.40
CRHR1 P34998 4/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL484618 0.96 TSHR (0.46) CYP2C9TSHRCYP2D6CYP3A4USP2
SCHEMBL484762 0.93 CYP2C9 (0.42) CYP2C9TSHRCYP2D6CYP3A4USP2
SCHEMBL484497 0.89 MRGPRX4 (0.38) CYP2C9TSHRCYP3A4USP2CYP1A2
SCHEMBL484605 0.88 CRHR1 (0.43) KMT2ACRHR1
SCHEMBL2818766 0.87 USP2 (0.44) CYP2C9TSHRCYP2D6CYP3A4USP2
SCHEMBL2815110 0.87 KMT2A (0.41) KMT2ACCR2CRHR1
SCHEMBL484675 0.87 CYP3A4 (0.55) CYP2C9TSHRCYP2D6CYP3A4USP2
SCHEMBL2816325 0.87 USP2 (0.41) CYP2C9TSHRCYP2D6CYP3A4USP2
SCHEMBL484362 0.86 USP2 (0.46) CYP2D6CYP3A4USP2KMT2AMAPK1
SCHEMBL2819000 0.86 CYP3A4 (0.44) CYP2C9TSHRCYP2D6CYP3A4USP2

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 CYP2C9 2259/4885TSHR 338/4885CYP2D6 1926/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP2C9 2259/4885TSHR 338/4885CYP2D6 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.