SCHEMBL4745975

SCHEMBL4745975

NC(=O)C1CCCCC1C(=O)Nc1ccc(N2CCCCCC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
HPGD P15428 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
RAB9A P51151 3/20 0.48
TP53 P04637 2/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
FPR1 P21462 1/20 0.48
FPR2 P25090 1/20 0.48
GRM4 Q14833 1/20 0.47
MAPT P10636 2/20 0.47
F10 P00742 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
KDM1A O60341 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 3/20 0.44
GLA P06280 1/20 0.44
PKM P14618 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL4691652 0.98 FPR1 (0.48) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL4745979 0.88 KDM1A (0.49) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL5440980 0.86 KDM1A (0.49) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL5435861 0.82 F10 (0.57) GRM4F10KMT2AALDH1A1
SCHEMBL4690372 0.82 MAPKAPK2 (0.46) SMN1; SMN2RAB9AGRM4MAPTF10
SCHEMBL5436042 0.81 GRM4 (0.47) SMN1; SMN2RAB9AGRM4MAPTF10
SCHEMBL5435689 0.81 GRM4 (0.46) SMN1; SMN2RAB9AGRM4MAPTF10
SCHEMBL4690349 0.80 MAPKAPK2 (0.46) NPC1SMN1; SMN2RAB9ATP53GRM4
SCHEMBL5445579 0.79 GRM4 (0.44) SMN1; SMN2RAB9AGRM4MAPTF10
SCHEMBL6842273 0.79 KDM1A (0.59) NPC1HPGDSMN1; SMN2RAB9ATP53

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-1603572-A4 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-06-25 EP disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
EP-1603572-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD NPC1 4319/4885HPGD 1815/4885SMN1; SMN2 2952/4885

“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.