SCHEMBL2848712

SCHEMBL2848712

CC(=O)Nc1ccc(N2CCOCC2)c(C#N)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.67
ALDH1A1 P00352 8/20 0.57
KDM4E B2RXH2 3/20 0.57
HTT P42858 3/20 0.57
MAPT P10636 6/20 0.53
HSD17B10 Q99714 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
NPSR1 Q6W5P4 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
RXFP1 Q9HBX9 1/20 0.53
POLB P06746 3/20 0.52
MOK Q9UQ07 1/20 0.52
LMNA P02545 3/20 0.51
TP53 P04637 2/20 0.51
CASP1 P29466 1/20 0.51
USP2 O75604 2/20 0.50
RAB9A P51151 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 2/20 0.49

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
SCHEMBL29769098 0.82 ALDH1A1 (0.63) HPGDALDH1A1KDM4EHTTMAPT
SCHEMBL20702814 0.82 SLC6A5 (0.56) HPGDALDH1A1MAPTHSD17B10MEN1
SCHEMBL2010279 0.82 ALDH1A1 (0.60) HPGDALDH1A1KDM4EHTTMAPT
SCHEMBL29769157 0.82 RAB9A (0.70) HPGDALDH1A1KDM4EHTTMAPT
SCHEMBL20922083 0.81 HTT (0.66) HPGDALDH1A1KDM4EHTTMAPT
SCHEMBL17478627 0.80 KDM4E (0.67) HPGDALDH1A1KDM4EHTTHSD17B10
SCHEMBL8961536 0.80 ALDH1A1 (0.57) HPGDALDH1A1KDM4EHTTMAPT
SCHEMBL8253702 0.78 ALDH1A1 (0.56) HPGDALDH1A1KDM4EHTTMAPT
SCHEMBL792380 0.76 ALDH1A1 (0.54) HPGDALDH1A1KDM4EHTTMAPT
SCHEMBL6814763 0.76 MAPT (0.66) HPGDALDH1A1HTTMAPTMEN1

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-1910298-B1 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-01-13 EP disclosed
EP-1910298-B1 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-01-13 EP disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US 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
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 HPGD 2009/4885ALDH1A1 2963/4885KDM4E 1847/4885

“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.