SCHEMBL484362

SCHEMBL484362

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(CCc5ccccc5)CC4)CC3)cc21)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.46
HTR1A P08908 5/20 0.43
DRD2 P14416 5/20 0.43
KCNH2 Q12809 5/20 0.43
HTR2A P28223 4/20 0.43
CRHR1 P34998 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
CCR2 P41597 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
KMT2A Q03164 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM3 P20309 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
SCHEMBL485032 0.96 USP2 (0.42) USP2HTR1ADRD2KCNH2HTR2A
SCHEMBL484540 0.90 HTR1A (0.41) USP2HTR1ADRD2KCNH2HTR2A
SCHEMBL484752 0.89 CYP3A4 (0.44) USP2HTR1ADRD2KCNH2HTR2A
SCHEMBL484675 0.86 CYP3A4 (0.55) USP2CYP3A4CYP2D6KMT2A
SCHEMBL484668 0.86 CYP2C9 (0.51) USP2CRHR1CYP3A4CYP2D6MAPK1
SCHEMBL484515 0.86 USP2 (0.46) USP2CRHR1CYP3A4CYP2D6KMT2A
SCHEMBL484541 0.86 TAS1R3 (0.44) HTR1ADRD2KCNH2HTR2ACYP3A4
SCHEMBL2816325 0.86 USP2 (0.41) USP2CRHR1CYP3A4CYP2D6CCR2
SCHEMBL2819000 0.86 CYP3A4 (0.44) USP2HTR1ACRHR1CYP3A4CYP2D6
SCHEMBL484853 0.86 DRD2 (0.41) HTR1ADRD2KCNH2HTR2ACRHR1

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 4864/4885HTR1A 610/4885DRD2 520/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN USP2 4864/4885HTR1A 610/4885DRD2 520/4885

“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.