SCHEMBL484502

SCHEMBL484502

Cc1cccc(Cl)c1C(=O)NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5c(F)cccc5Cl)CC4)C3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
KDM4E B2RXH2 4/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 3/20 0.39
ALDH1A1 P00352 6/20 0.39
TDP1 Q9NUW8 3/20 0.39
ALOX15 P16050 1/20 0.39
GAA P10253 1/20 0.38
CYP2D6 P10635 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ACKR3 P25106 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
DDR1 Q08345 1/20 0.35

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
SCHEMBL484547 0.90 CYP2D6 (0.45) ACHEKDM4ETSHRPOLBSMN1; SMN2
SCHEMBL484832 0.89 ACHE (0.42) ACHEKDM4ETSHRPOLBSMN1; SMN2
SCHEMBL484702 0.89 TAS1R3 (0.43) ACHEKDM4ETSHRPOLBSMN1; SMN2
SCHEMBL2819251 0.89 CYP2D6 (0.40) TSHRSMN1; SMN2ALDH1A1GAACYP2D6
SCHEMBL484418 0.88 CYP2C9 (0.40) TSHRPOLBSMN1; SMN2ALDH1A1CYP2D6
SCHEMBL484986 0.88 LMNA (0.39) POLBSMN1; SMN2GAAACKR3DDR1
SCHEMBL2817018 0.88 CYP2D6 (0.45) ACHETSHRSMN1; SMN2EPHX2ALDH1A1
SCHEMBL484765 0.87 CYP2D6 (0.43) TSHRALDH1A1CYP2D6MAPK1CYP1A2
SCHEMBL484446 0.87 TAS1R3 (0.43) ACHETSHREPHX2ALDH1A1CYP2D6
SCHEMBL484738 0.87 CYP2C9 (0.39) ACHETSHRSMN1; SMN2EPHX2GAA

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 ACHE 3999/4885KDM4E 2721/4885TSHR 338/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ACHE 3999/4885KDM4E 2721/4885TSHR 338/4885

“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.