SCHEMBL484535

SCHEMBL484535

O=C(O)N1CCC2(CCN(c3ccc(C(F)(F)F)cc3)CC2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.55
TSHR P16473 5/20 0.55
HIF1A Q16665 3/20 0.53
CYP2D6 P10635 2/20 0.53
CYP1A2 P05177 2/20 0.53
CA12 O43570 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
USP2 O75604 5/20 0.51
HSD17B10 Q99714 2/20 0.51
AKR1C3 P42330 1/20 0.50
CYP2C9 P11712 4/20 0.49
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
NOTUM Q6P988 1/20 0.47
EPHX2 P34913 1/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL484578 0.84 USP2 (0.50) CYP3A4TSHRHIF1ACYP2D6CYP1A2
SCHEMBL485220 0.82 CYP11B2 (0.53) CYP3A4TSHRHIF1ACYP2D6CYP1A2
SCHEMBL484677 0.81 USP2 (0.50) CYP3A4TSHRHIF1ACYP1A2USP2
SCHEMBL640636 0.81 ITGB3 (0.67) CYP3A4TSHRHIF1ACYP2D6HSD17B10
SCHEMBL485221 0.81 SMN1; SMN2 (0.54) TSHRCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1458650 0.81 CA12 (0.71) CYP3A4CA12CA2CA9AKR1C3
SCHEMBL484575 0.78 USP2 (0.52) CYP3A4TSHRHIF1ACYP2D6CYP1A2
SCHEMBL485114 0.78 AR (0.47) CYP3A4TSHRCYP2D6CYP1A2USP2
SCHEMBL485229 0.78 CYP3A4 (0.63) CYP3A4TSHRHIF1ACYP2D6CYP1A2
SCHEMBL484906 0.77 CYP3A4 (0.50) CYP3A4TSHRHIF1ACYP2D6CYP1A2

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 5 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 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 CYP3A4 3781/4885TSHR 338/4885HIF1A 1157/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885TSHR 338/4885HIF1A 1157/4885

“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.