SCHEMBL484667

SCHEMBL484667

COc1ccc(N2CCC3(CCN(C(=O)c4ccc5c(c4)[C@H](NC(=O)c4ccccc4Cl)CC5)C3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 7/20 0.47
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
CYP3A4 P08684 6/20 0.47
HIF1A Q16665 5/20 0.46
CYP1A2 P05177 5/20 0.46
CYP2C19 P33261 4/20 0.46
TSHR P16473 3/20 0.46
HPGD P15428 1/20 0.46
CYP2C9 P11712 4/20 0.45
MAPK1 P28482 4/20 0.45
SPTLC2 O15270 5/20 0.44
HSD17B10 Q99714 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP2D6 P10635 2/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TAS1R3 Q7RTX0 2/20 0.42

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
SCHEMBL2820727 0.92 ALDH1A1 (0.43) ALDH1A1SPTLC2TAS1R3TAS1R1AR
SCHEMBL2816161 0.90 ALDH1A1 (0.42) USP2ALDH1A1SMN1; SMN2CYP3A4HIF1A
SCHEMBL2815777 0.89 BDKRB1 (0.45) USP2ALDH1A1SMN1; SMN2CYP3A4HIF1A
SCHEMBL2817400 0.89 BDKRB1 (0.45) USP2ALDH1A1SMN1; SMN2CYP3A4HIF1A
SCHEMBL484199 0.89 BDKRB1 (0.45) USP2ALDH1A1SMN1; SMN2CYP3A4HIF1A
SCHEMBL484724 0.88 CYP3A4 (0.43) USP2ALDH1A1CYP3A4HIF1ACYP1A2
SCHEMBL484550 0.88 AR (0.47) ALDH1A1CYP3A4CYP1A2CYP2C19SPTLC2
SCHEMBL484258 0.88 CYP3A4 (0.50) USP2ALDH1A1SMN1; SMN2CYP3A4HIF1A
SCHEMBL484387 0.88 CYP3A4 (0.50) USP2ALDH1A1SMN1; SMN2CYP3A4HIF1A
SCHEMBL484274 0.87 ALDH1A1 (0.41) USP2ALDH1A1CYP3A4CYP1A2SPTLC2

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 16 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-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
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-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US 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 4864/4885ALDH1A1 2086/4885SMN1; SMN2 3545/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN USP2 4864/4885ALDH1A1 2086/4885SMN1; SMN2 3545/4885

“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.