SCHEMBL3558475

SCHEMBL3558475

C[C@@](N)(Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC6A2 P23975 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
MMP8 P22894 6/20 0.47
BLM P54132 1/20 0.46
RIPK1 Q13546 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
RECQL P46063 1/20 0.43
POLB P06746 1/20 0.43
ACE P12821 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MME P08473 1/20 0.41

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
SCHEMBL3558478 1.00 SMN1; SMN2 (0.47) SMN1; SMN2HIF1ASLC6A2TAAR1MMP8
SCHEMBL1933420 0.81 SLC6A2 (0.52) SMN1; SMN2HIF1ASLC6A2TAAR1MMP8
SCHEMBL6247793 0.81 SLC6A2 (0.52) SMN1; SMN2HIF1ASLC6A2TAAR1MMP8
SCHEMBL6247788 0.81 SLC6A2 (0.52) SMN1; SMN2HIF1ASLC6A2TAAR1MMP8
SCHEMBL11993052 0.81 SLC6A2 (0.52) SMN1; SMN2HIF1ASLC6A2TAAR1MMP8
SCHEMBL8578336 0.81 MMP8 (0.47) SMN1; SMN2MMP8BLMRIPK1CYP3A4
SCHEMBL17300282 0.79 RIPK1 (0.50) SMN1; SMN2MMP8RIPK1CYP3A4POLB
SCHEMBL28927912 0.79 MMP8 (0.63) SMN1; SMN2HIF1ASLC6A2TAAR1MMP8
SCHEMBL19407345 0.79 SMN1; SMN2 (0.49) SMN1; SMN2HIF1ASLC6A2TAAR1MMP8
SCHEMBL17300284 0.78 MMP8 (0.44) SMN1; SMN2MMP8BLMRIPK1CYP3A4

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
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
EP-1675859-A1 MODULATORS OF SEROTONIN RECEPTORS Bristol-Myers Squibb Company (US) 2006-07-05 EP disclosed
WO-2005035533-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO 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 SMN1; SMN2 3122/4885HIF1A 687/4885SLC6A2 101/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B SMN1; SMN2 3065/4885HIF1A 689/4885SLC6A2 87/4885

“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.