SCHEMBL5648368

SCHEMBL5648368

CN(C(=O)OCc1ccccc1)[C@@H]1CCCN(CC(=O)O)C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.54
▸ TMEM97 Q5BJF2 2/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ CHRM5 P08912 1/20 0.47
▸ ADRA2A P08913 1/20 0.47
▸ ADRA2B P18089 1/20 0.47
▸ DRD1 P21728 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ DRD5 P21918 1/20 0.47
▸ ADRA1D P25100 1/20 0.47
▸ HTR1D P28221 1/20 0.47
▸ HTR1B P28222 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ TSPO P30536 1/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ HRH1 P35367 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ HTR2B P41595 1/20 0.47

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
SCHEMBL14603130 1.00 SIGMAR1 (0.54) SIGMAR1TMEM97HTR1ACHRM5ADRA2A
SCHEMBL14603129 0.90 SIGMAR1 (0.51) SIGMAR1TMEM97HTR1ACHRM5ADRA2A
SCHEMBL7145780 0.85 SIGMAR1 (0.43) SIGMAR1TMEM97HTR1ACHRM5ADRA2A
SCHEMBL4968962 0.83 SIGMAR1 (0.52) SIGMAR1TMEM97HTR1ACHRM5ADRA2A
SCHEMBL5649936 0.80 SCN9A (0.42) SIGMAR1TMEM97HTR1ACHRM5ADRA2A
SCHEMBL5649938 0.80 SCN9A (0.42) SIGMAR1TMEM97HTR1ACHRM5ADRA2A
SCHEMBL4966240 0.75 SIGMAR1 (0.53) SIGMAR1TMEM97HTR1ACHRM5ADRA2A
SCHEMBL14603133 0.75 CASP3 (0.64) ACEMME
SCHEMBL14641301 0.75 CASP3 (0.64) ACEMME
SCHEMBL5650545 0.75 CASP3 (0.64) ACEMME

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
US-7166586-B2 Sulfonamide lactam inhibitors of FXa and method BRISTOL MYERS SQUIBB CO. (US) 2007-01-23 — — US disclosed
US-20040186134-A1 Sulfonamide lactam inhibitors of FXa and method O'CONNOR STEPHEN P (US) 2004-09-23 — — US disclosed
EP-1358178-A2 SULFONAMIDE LACTAM INHIBITORS OF FACTOR XA Bristol-Myers Squibb Company (US) 2003-11-05 — — EP disclosed
US-6555542-B1 Factor Xa (FXa); useful as anticoagulants in the treatment of cardiovascular diseases associated with thrombosis BRISTOL-MYERS SQUIBB COMPANY 2003-04-29 — — US disclosed
WO-2002060894-A2 SULFONAMIDE LACTAM INHIBITORS OF FACTOR XA BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 — — 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-20040186134-A1 Sulfonamide lactam inhibitors of FXa and method STS, SULT1E1, F8 SIGMAR1 2144/4885TMEM97 3715/4885HTR1A 1453/4885

“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.

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