SCHEMBL485032

SCHEMBL485032

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(CCc5ccccc5)CC4)C3)cc21)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 6/20 0.42
CYP3A4 P08684 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
TSHR P16473 1/20 0.42
HTR1A P08908 5/20 0.42
DRD2 P14416 5/20 0.42
KCNH2 Q12809 5/20 0.42
HTR2A P28223 4/20 0.42
CRHR1 P34998 6/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL484362 0.96 USP2 (0.46) USP2CYP3A4CYP2D6HTR1ADRD2
SCHEMBL484853 0.90 DRD2 (0.41) CYP3A4CYP2D6TSHRHTR1ADRD2
SCHEMBL484935 0.90 CYP3A4 (0.40) USP2CYP3A4CYP1A2CYP2D6TSHR
SCHEMBL484618 0.87 TSHR (0.46) USP2CYP3A4CYP1A2CYP2D6TSHR
SCHEMBL484646 0.87 TAS1R3 (0.43) CYP3A4CYP1A2CYP2D6HTR1ADRD2
SCHEMBL484919 0.86 CYP3A4 (0.40) USP2CYP3A4CYP1A2CYP2D6TSHR
SCHEMBL484517 0.86 CRHR1 (0.42) CRHR1
SCHEMBL484540 0.86 HTR1A (0.41) USP2CYP3A4CYP2D6TSHRHTR1A
SCHEMBL484593 0.86 MRGPRX4 (0.40) USP2CYP3A4CYP1A2CYP2D6TSHR
SCHEMBL2818249 0.86 NAMPT (0.41) CRHR1MRGPRX4

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 4864/4885CYP3A4 3781/4885CYP1A2 3400/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN USP2 4864/4885CYP3A4 3781/4885CYP1A2 3400/4885

“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.