SCHEMBL4689504

SCHEMBL4689504

COC1CCC(NC(=O)c2ccc(N3CCCCC3=O)cc2)C(C(N)=O)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
HPGD P15428 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 2/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
F10 P00742 7/20 0.51
F2 P00734 1/20 0.51
ALDH1A1 P00352 4/20 0.45
POLB P06746 2/20 0.44
LCK P06239 1/20 0.42
JAK3 P52333 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ATM Q13315 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL5428982 0.93 NPC1 (0.52) NPC1RAB9AHPGDSMN1; SMN2TSHR
SCHEMBL5429958 0.88 F10 (0.55) NPC1RAB9AHPGDSMN1; SMN2TSHR
SCHEMBL5428989 0.87 NPC1 (0.54) NPC1RAB9AHPGDSMN1; SMN2TSHR
SCHEMBL5435546 0.85 F10 (0.51) NPC1RAB9AHPGDSMN1; SMN2TSHR
SCHEMBL4693954 0.84 F10 (0.63) NPC1RAB9AHPGDSMN1; SMN2TSHR
SCHEMBL4693401 0.84 RAB9A (0.62) NPC1RAB9AHPGDSMN1; SMN2TSHR
SCHEMBL4687850 0.83 F10 (0.62) NPC1RAB9AHPGDSMN1; SMN2TSHR
SCHEMBL4692038 0.83 RAB9A (0.64) NPC1RAB9AHPGDSMN1; SMN2TSHR
SCHEMBL4694872 0.80 RAB9A (0.67) NPC1RAB9AHPGDSMN1; SMN2TSHR
SCHEMBL5434205 0.80 NPC1 (0.63) NPC1RAB9AHPGDSMN1; SMN2TSHR

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 4319/4885RAB9A 3566/4885HPGD 1815/4885

“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.