SCHEMBL784638

SCHEMBL784638

CCN(C(=O)c1ccccc1C)[C@@H]1CCc2ccc(C(=O)O)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TRPM8 Q7Z2W7 4/20 0.37
KMT2A Q03164 2/20 0.36
ACHE P22303 1/20 0.36
P2RX3 P56373 2/20 0.36
P2RX2 Q9UBL9 2/20 0.36
NSD2 O96028 1/20 0.36
ESR1 P03372 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
ESR2 Q92731 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 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
SCHEMBL784639 1.00 DRD3 (0.41) DRD3TSHRMAPK1SLC6A2SLC6A4
SCHEMBL803197 0.89 LMNA (0.40) DRD3TSHRMAPK1SLC6A2SLC6A4
SCHEMBL785167 0.88 TP53 (0.43) DRD3TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL785978 0.88 TP53 (0.43) DRD3TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL785072 0.85 SPR (0.41) DRD3TRPM8KMT2AACHEDRD2
SCHEMBL785415 0.85 SPR (0.41) DRD3TRPM8KMT2AACHEDRD2
SCHEMBL785923 0.83 TRPM8 (0.43) DRD3SLC6A2SLC6A4TRPM8KMT2A
SCHEMBL784544 0.83 TRPM8 (0.43) DRD3SLC6A2SLC6A4TRPM8KMT2A
SCHEMBL803284 0.83 SLC6A2 (0.43) DRD3SLC6A2SLC6A4SLC6A3TRPM8
SCHEMBL785744 0.83 SLC6A2 (0.43) DRD3SLC6A2SLC6A4SLC6A3TRPM8

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 7 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
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
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 DRD3 85/4885TSHR 586/4885MAPK1 1137/4885

“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.