SCHEMBL3556442

SCHEMBL3556442

C[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.54
MMP3 P08254 2/20 0.54
MMP9 P14780 2/20 0.54
GAA P10253 2/20 0.54
POLB P06746 1/20 0.54
PLA2G10 O15496 1/20 0.52
PLA2G5 P39877 1/20 0.52
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP1A2 P05177 1/20 0.47
EP300 Q09472 1/20 0.45
EHMT2 Q96KQ7 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SMO Q99835 2/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
GHSR Q92847 1/20 0.43

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
SCHEMBL3557914 1.00 MMP1 (0.54) MMP1MMP3MMP9GAAPOLB
SCHEMBL5760263 1.00 MMP1 (0.54) MMP1MMP3MMP9GAAPOLB
SCHEMBL14607231 0.88 MMP1 (0.48) MMP1MMP3MMP9GAAPOLB
SCHEMBL10117595 0.88 MMP1 (0.48) MMP1MMP3MMP9GAAPOLB
SCHEMBL10134835 0.88 MMP1 (0.48) MMP1MMP3MMP9GAAPOLB
SCHEMBL23040234 0.88 MMP1 (0.48) MMP1MMP3MMP9GAAPOLB
SCHEMBL11959439 0.88 MMP1 (0.48) MMP1MMP3MMP9GAAPOLB
SCHEMBL23040054 0.88 MMP1 (0.48) MMP1MMP3MMP9GAAPOLB
SCHEMBL23646101 0.87 MMP1 (0.47) MMP1MMP3MMP9GAAPOLB
SCHEMBL23040273 0.86 MMP1 (0.46) MMP1MMP3MMP9GAAEHMT2

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
EP-1675859-B1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL MYERS SQUIBB CO (US) 2012-12-05 EP disclosed
US-7812024-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-12 US disclosed
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 US disclosed
US-7244843-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
US-20050080074-A1 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 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 (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-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS HTR5A, HTR1A, HTR2A MMP1 3846/4885MMP3 1515/4885MMP9 2679/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B MMP1 3774/4885MMP3 1628/4885MMP9 2465/4885

“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.