SCHEMBL4694872

SCHEMBL4694872

NC(=O)C1CCCCC1NC(=O)c1ccc(N2CCCC2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.67
NPC1 O15118 6/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
HPGD P15428 3/20 0.67
TSHR P16473 2/20 0.67
TP53 P04637 1/20 0.67
MAPK1 P28482 1/20 0.67
F10 P00742 5/20 0.57
F2 P00734 1/20 0.56
ALDH1A1 P00352 4/20 0.52
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.48
GFER P55789 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL5434205 0.98 NPC1 (0.63) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL4693401 0.97 RAB9A (0.62) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL4692038 0.95 RAB9A (0.64) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL4693954 0.94 F10 (0.63) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL4687850 0.93 F10 (0.62) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL5432482 0.86 RAB9A (0.70) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL5427156 0.84 NPC1 (0.47) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL4691942 0.84 F10 (0.58) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL4742619 0.84 F10 (0.60) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL5434208 0.83 NPC1 (0.66) RAB9ANPC1SMN1; SMN2HPGDTSHR

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 9 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 claimed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US claimed
JP-2006520790-A 2006-09-14 JP claimed
EP-1603572-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP claimed
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO claimed
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
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 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 (2 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 RAB9A 3566/4885NPC1 4319/4885SMN1; SMN2 2952/4885
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors PEPD, TFPI, F2 RAB9A 2636/4885NPC1 4282/4885SMN1; SMN2 3010/4885

“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.