SCHEMBL2914498

SCHEMBL2914498

CCSc1ccccc1C1NCCC1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC1A2 P43004 1/20 0.35
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32

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
SCHEMBL8263425 0.85 PKM (0.46) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL2916186 0.83 SLC1A2 (0.36) SLC6A2SLC6A4SLC6A3SLC1A2TSHR
SCHEMBL13628118 0.77 CYP2D6 (0.33) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL2941476 0.76 SLC1A2 (0.35) CYP2D6SLC6A2SLC1A2TSHRNPSR1
Hydrochloric Acid SCHEMBL2914109 0.75 TSHR (0.36) CYP2D6SLC6A2SLC6A4SLC6A3SLC1A2
SCHEMBL9047769 0.72 SLC1A2 (0.47) SLC6A2SLC1A2TSHRNPSR1MAPT
SCHEMBL4780390 0.72 SLC1A2 (0.47) SLC6A2SLC1A2TSHRNPSR1MAPT
SCHEMBL2916919 0.72 SLC1A2 (0.47) SLC6A2SLC1A2TSHRNPSR1MAPT
SCHEMBL2914519 0.72 MAPT (0.45) SLC6A2SLC6A4SLC6A3TSHRMAPT
SCHEMBL2914811 0.70 CDK7 (0.35) SLC6A2SLC6A4SLC6A3SLC1A2TSHR

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-1856096-B1 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-09-01 EP disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
EP-1856096-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Bristol-Myers Squibb Company (US) 2007-11-21 EP disclosed
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO 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-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants TFPI, SERPINC1, SERPINE1 CYP2D6 1695/4885SLC6A2 4366/4885SLC6A4 4171/4885

“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.