SCHEMBL4690372

SCHEMBL4690372

NC(=O)C1CCCCC1C(=O)Nc1ccc(N2CCNCC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.46
GRM4 Q14833 1/20 0.45
HTT P42858 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
CYP2C19 P33261 1/20 0.38
F10 P00742 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL4690349 0.98 MAPKAPK2 (0.46) MAPKAPK2GRM4HTTRAB9AKDM4E
SCHEMBL4690375 0.89 MAPKAPK2 (0.46) MAPKAPK2GRM4HTTRAB9AKDM4E
SCHEMBL4691701 0.87 MAPKAPK2 (0.46) MAPKAPK2HTTRAB9AKDM4ESMN1; SMN2
SCHEMBL4745975 0.82 NPC1 (0.48) GRM4RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL5436042 0.82 GRM4 (0.47) GRM4HTTRAB9AKDM4ESMN1; SMN2
SCHEMBL5435861 0.80 F10 (0.57) GRM4ALDH1A1KMT2AF10
SCHEMBL5445579 0.80 GRM4 (0.44) GRM4HTTRAB9AKDM4ESMN1; SMN2
SCHEMBL4691652 0.80 FPR1 (0.48) GRM4RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL5435689 0.76 GRM4 (0.46) GRM4HTTRAB9AKDM4ESMN1; SMN2
SCHEMBL4690332 0.76 F10 (0.46) MAPKAPK2RAB9ASMN1; SMN2F10

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 MAPKAPK2 3982/4885GRM4 2186/4885HTT 4850/4885

“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.