SCHEMBL4745979

SCHEMBL4745979

NC1CCCCC1C(=O)Nc1ccc(N2CCCCCC2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.49
MAOB P27338 1/20 0.49
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
MAPT P10636 2/20 0.47
F10 P00742 6/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 4/20 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
SCHEMBL5440980 0.98 KDM1A (0.49) KDM1AMAOBNPC1HPGDSMN1; SMN2
SCHEMBL4745975 0.88 NPC1 (0.48) KDM1AMAOBNPC1HPGDSMN1; SMN2
SCHEMBL4691652 0.86 FPR1 (0.48) KDM1AMAOBNPC1HPGDSMN1; SMN2
SCHEMBL4690375 0.82 MAPKAPK2 (0.46) KDM1AMAOBNPC1SMN1; SMN2RAB9A
SCHEMBL5435864 0.82 F10 (0.57) F10KMT2AALDH1A1
SCHEMBL5435692 0.81 KDM1A (0.52) KDM1AMAOBSMN1; SMN2RAB9AMAPT
SCHEMBL5436044 0.81 F10 (0.41) KDM1AMAOBSMN1; SMN2RAB9AMAPT
SCHEMBL4691701 0.80 MAPKAPK2 (0.46) KDM1AMAOBNPC1SMN1; SMN2RAB9A
SCHEMBL5442494 0.79 KDM1A (0.52) KDM1AMAOBSMN1; SMN2RAB9AMAPT
SCHEMBL5445580 0.79 KLK5 (0.40) KDM1AMAOBNPC1SMN1; SMN2RAB9A

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 KDM1A 2307/4885MAOB 484/4885NPC1 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.