SCHEMBL485180

SCHEMBL485180

CN(C)C1(c2ccc(F)cc2)CCC2(CCN(C(=O)c3ccc4c(c3)C(CNC(=O)c3ccccc3Cl)CC4)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
HSD11B1 P28845 6/20 0.40
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 2/20 0.36
GNRHR P30968 1/20 0.36
FASN P49327 1/20 0.35
CYP2D6 P10635 1/20 0.35
HTR1A P08908 2/20 0.35
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL484240 0.88 ALDH1A1 (0.42) HSD11B1OPRM1OPRL1ALDH1A1MAPK1
SCHEMBL2816567 0.88 CYP3A4 (0.44) KMT2AHSD11B1ALDH1A1MAPK1CYP2D6
SCHEMBL484271 0.85 ALDH1A1 (0.45) KMT2AHSD11B1OPRM1OPRL1ALDH1A1
SCHEMBL485044 0.84 HSD11B1 (0.42) KMT2AHSD11B1OPRM1OPRL1ALDH1A1
SCHEMBL485141 0.82 HSD11B1 (0.41) KMT2AHSD11B1OPRM1OPRL1MAPK1
SCHEMBL484528 0.80 BDKRB1 (0.48) ALDH1A1MAPK1CYP2D6
SCHEMBL484530 0.79 CYP3A4 (0.51) KMT2AALDH1A1MAPK1CYP2D6
SCHEMBL2817977 0.79 NAMPT (0.44) KMT2AALDH1A1
SCHEMBL484873 0.78 CYP2C9 (0.41) KMT2AALDH1A1MAPK1CYP2D6HTR1A
SCHEMBL484260 0.77 ITGB3 (0.46) KMT2AALDH1A1MAPK1CYP2D6

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 8 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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US 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 KMT2A 2136/4885HSD11B1 1789/4885OPRM1 799/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN KMT2A 2136/4885HSD11B1 1789/4885OPRM1 799/4885

“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.