SCHEMBL803554

SCHEMBL803554

CCN(C(=O)C1CCCC1)[C@@H]1CCc2ccc(C(=O)OC)cc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
NQO2 P16083 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
NAMPT P43490 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 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
SCHEMBL785353 0.87 DRD3 (0.42) ACHEALDH1A1NPSR1
SCHEMBL785355 0.87 DRD3 (0.42) ACHEALDH1A1NPSR1
SCHEMBL803205 0.85 HCRTR2 (0.44) ACHESMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL785294 0.81 ACHE (0.38) ACHESMN1; SMN2MEN1KMT2A
SCHEMBL785293 0.81 ACHE (0.38) ACHESMN1; SMN2MEN1KMT2A
SCHEMBL803508 0.80 WDR5 (0.41) ACHESMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL803743 0.80 DRD3 (0.36) ACHESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL803197 0.79 LMNA (0.40) ACHESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL13131173 0.78 ACHE (0.56) ACHESMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL803509 0.77 RORC (0.39) SMN1; SMN2NPC1RAB9AKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 (1 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 ACHE 746/4885SMN1; SMN2 2971/4885ALDH1A1 1267/4885

“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.