SCHEMBL4599304

SCHEMBL4599304

N#Cc1ccccc1C(=O)N1CCCC1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.59
TSHR P16473 1/20 0.54
RECQL P46063 1/20 0.54
HTT P42858 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TP53BP1 Q12888 1/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GLA P06280 1/20 0.48

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
SCHEMBL3092100 0.87 HSD11B1 (0.56) HSD11B1TSHRRECQLHTTALDH1A1
SCHEMBL28812724 0.85 RXFP1 (0.60) HSD11B1ALDH1A1HCRTR1HCRTR2
SCHEMBL29482199 0.85 CNR1 (0.58) HSD11B1TSHRHTTALDH1A1SMN1; SMN2
SCHEMBL30367909 0.83 HSD11B1 (0.56) HSD11B1TSHRALDH1A1SMN1; SMN2HCRTR1
SCHEMBL2022309 0.81 HSP90AA1 (0.54) HSD11B1HTTALDH1A1HPGDHCRTR1
SCHEMBL10720608 0.81 TSHR (0.69) TSHRRECQLHTTALDH1A1HPGD
SCHEMBL30749660 0.81 HSD11B1 (0.42) HSD11B1TSHRRECQLHTTALDH1A1
SCHEMBL16000518 0.80 HSD11B1 (0.57) HSD11B1ALDH1A1HCRTR1HCRTR2KMT2A
SCHEMBL16002964 0.79 HSD11B1 (0.59) HSD11B1ALDH1A1HCRTR1HCRTR2KMT2A
SCHEMBL1110596 0.78 POLB (0.57) HSD11B1ALDH1A1HCRTR1HCRTR2MEN1

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 8 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
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
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
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 HSD11B1 3347/4885TSHR 1231/4885RECQL 2156/4885

“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.