SCHEMBL484596

SCHEMBL484596

N#Cc1ccc(C(=O)N2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2ccccc2Cl)CC4)CC3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TAS1R3 Q7RTX0 3/20 0.43
TAS1R1 Q7RTX1 3/20 0.43
TAS1R2 Q8TE23 2/20 0.43
CYP3A4 P08684 5/20 0.42
USP2 O75604 4/20 0.42
CYP2D6 P10635 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
SPTLC2 O15270 1/20 0.41
CYP1A2 P05177 3/20 0.41
TSHR P16473 2/20 0.41
CYP2C9 P11712 1/20 0.41
EPHX2 P34913 1/20 0.40
FASN P49327 3/20 0.40
GLA P06280 1/20 0.40
CYP2C19 P33261 1/20 0.40
AR P10275 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL484809 0.93 USP2 (0.53) ALDH1A1CYP3A4USP2CYP2D6SMN1; SMN2
SCHEMBL484550 0.90 AR (0.47) ALDH1A1LMNAL3MBTL1TAS1R3TAS1R1
SCHEMBL2815468 0.89 ALDH1A1 (0.47) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL484792 0.89 CYP3A4 (0.55) ALDH1A1CYP3A4USP2CYP2D6SMN1; SMN2
SCHEMBL484732 0.89 CYP3A4 (0.48) ALDH1A1CYP3A4USP2CYP2D6SMN1; SMN2
SCHEMBL484356 0.88 ALDH1A1 (0.48) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL484474 0.88 CYP2D6 (0.47) ALDH1A1TAS1R3TAS1R1TAS1R2CYP3A4
SCHEMBL485059 0.86 TAS1R3 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2CYP3A4
SCHEMBL485150 0.86 ATM (0.41) ALDH1A1L3MBTL1TAS1R3TAS1R1TAS1R2
SCHEMBL484202 0.85 ALDH1A1 (0.47) ALDH1A1TAS1R3TAS1R1TAS1R2SMN1; SMN2

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 ALDH1A1 2086/4885LMNA 1187/4885L3MBTL1 3172/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ALDH1A1 2086/4885LMNA 1187/4885L3MBTL1 3172/4885

“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.