SCHEMBL484550

SCHEMBL484550

N#Cc1ccc(N2CCC3(CCN(C(=O)c4ccc5c(c4)[C@H](NC(=O)c4ccccc4Cl)CC5)C3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.47
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
KDM1A O60341 1/20 0.39
CTSS P25774 1/20 0.38
SPTLC2 O15270 1/20 0.38
NAMPT P43490 2/20 0.37
RIPK1 Q13546 1/20 0.37
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36

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) ARALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL2816161 0.90 ALDH1A1 (0.42) ARALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL484596 0.90 ALDH1A1 (0.45) ARALDH1A1LMNAL3MBTL1TAS1R3
SCHEMBL484732 0.90 CYP3A4 (0.48) ALDH1A1CYP1A2GLACYP3A4CYP2C19
SCHEMBL2817400 0.89 BDKRB1 (0.45) ARALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL2815777 0.89 BDKRB1 (0.45) ARALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL484199 0.89 BDKRB1 (0.45) ARALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL484724 0.88 CYP3A4 (0.43) ARALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL484667 0.88 USP2 (0.47) ARALDH1A1LMNATAS1R3TAS1R1
SCHEMBL484274 0.87 ALDH1A1 (0.41) ARALDH1A1TAS1R3TAS1R1TAS1R2

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 14 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
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
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 AR 219/4885ALDH1A1 2086/4885LMNA 1187/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN AR 219/4885ALDH1A1 2086/4885LMNA 1187/4885

“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.