SCHEMBL4599339

SCHEMBL4599339

COC(=O)/C=C(/C)c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.56
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NR3C1 P04150 2/20 0.45
CETP P11597 1/20 0.42
MEN1 O00255 1/20 0.42
SLC16A3 O15427 1/20 0.42
SLC16A1 P53985 1/20 0.42
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
NR1H4 Q96RI1 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4599342 1.00 PTPN1 (0.56) PTPN1CRHBPCRHR2MTNR1AMTNR1B
SCHEMBL4598473 0.87 CRHBP (0.59) PTPN1CRHBPCRHR2MTNR1AMTNR1B
SCHEMBL4598475 0.87 CRHBP (0.59) PTPN1CRHBPCRHR2MTNR1AMTNR1B
SCHEMBL21377435 0.81 PTPN1 (0.64) PTPN1CRHBPCRHR2MTNR1AMTNR1B
SCHEMBL22658227 0.80 CRHBP (0.68) PTPN1CRHBPCRHR2MTNR1AMTNR1B
SCHEMBL14009545 0.79 CRHBP (0.50) PTPN1CRHBPCRHR2MTNR1AMTNR1B
SCHEMBL17301315 0.79 CRHBP (0.50) PTPN1CRHBPCRHR2MTNR1AMTNR1B
SCHEMBL6952400 0.76 PTPN1 (0.68) PTPN1CRHBPCRHR2KMT2AL3MBTL1
SCHEMBL2498872 0.76 MAOB (0.67) PTPN1KMT2AMEN1NR1H4
SCHEMBL2498879 0.76 MAOB (0.67) PTPN1KMT2AMEN1NR1H4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
EP-1910298-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-04-16 EP disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 PTPN1 1670/4885CRHBP 4545/4885CRHR2 3725/4885

“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.