SCHEMBL785252

SCHEMBL785252

CC(C)CC(=O)N(C(C)C)[C@@H]1CCc2ccc(C(=O)O)cc21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.40
TRPM8 Q7Z2W7 3/20 0.39
SRD5A2 P31213 2/20 0.37
ACHE P22303 2/20 0.36
ALDH1A1 P00352 1/20 0.35
TBXA2R P21731 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL785253 1.00 DRD3 (0.40) DRD3TRPM8SRD5A2ACHEALDH1A1
SCHEMBL803739 0.87 ACHE (0.37) DRD3TRPM8ACHEALDH1A1KMT2A
SCHEMBL27920564 0.78 TAS2R14 (0.40) DRD3TRPM8SRD5A2ACHEALDH1A1
SCHEMBL785634 0.78 DRD3 (0.39) DRD3TRPM8SRD5A2ACHEALDH1A1
SCHEMBL803298 0.78 DRD3 (0.39) DRD3TRPM8SRD5A2ACHEALDH1A1
SCHEMBL27920561 0.78 TAS2R14 (0.40) DRD3TRPM8SRD5A2ACHEALDH1A1
SCHEMBL784544 0.77 TRPM8 (0.43) DRD3TRPM8SRD5A2ACHETBXA2R
SCHEMBL785923 0.77 TRPM8 (0.43) DRD3TRPM8SRD5A2ACHETBXA2R
SCHEMBL785968 0.77 TRPM8 (0.47) DRD3TRPM8ALDH1A1
SCHEMBL785967 0.77 TRPM8 (0.47) DRD3TRPM8ALDH1A1

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 6 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
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 85/4885TRPM8 180/4885SRD5A2 3255/4885

“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.