SCHEMBL4690397

SCHEMBL4690397

CN1CCN(c2ccc(C(=O)NC3CCCC3C(N)=O)cc2)C(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.46
F2 P00734 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
TSHR P16473 2/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
PSEN1 P49768 3/20 0.38
PSEN2 P49810 3/20 0.38
APH1B Q8WW43 3/20 0.38
NCSTN Q92542 3/20 0.38
APH1A Q96BI3 3/20 0.38
PSENEN Q9NZ42 3/20 0.38
HDAC3 O15379 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL5427156 0.98 NPC1 (0.47) F10F2NPC1RAB9ATSHR
SCHEMBL4690400 0.87 F10 (0.47) F10F2NPC1RAB9ATSHR
SCHEMBL5427159 0.85 NPC1 (0.49) F10F2NPC1RAB9ATSHR
SCHEMBL5434205 0.84 NPC1 (0.63) F10F2NPC1RAB9ATSHR
SCHEMBL5432622 0.84 F10 (0.41) F10RAB9APSEN1PSEN2APH1B
SCHEMBL4693954 0.84 F10 (0.63) F10F2NPC1RAB9ATSHR
SCHEMBL4687850 0.83 F10 (0.62) F10F2NPC1RAB9ATSHR
SCHEMBL4694872 0.82 RAB9A (0.67) F10F2NPC1RAB9ATSHR
SCHEMBL4693401 0.81 RAB9A (0.62) F10F2NPC1RAB9ATSHR
SCHEMBL4690332 0.81 F10 (0.46) F10F2NPC1RAB9ATSHR

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 F10 53/4885F2 2/4885NPC1 4319/4885

“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.