SCHEMBL5440980

SCHEMBL5440980

NC1CCCC1C(=O)Nc1ccc(N2CCCCCC2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.49
MAOB P27338 1/20 0.49
FPR1 P21462 1/20 0.48
FPR2 P25090 1/20 0.48
F10 P00742 7/20 0.46
NPC1 O15118 5/20 0.46
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 3/20 0.46
TP53 P04637 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
GLA P06280 1/20 0.44
PKM P14618 1/20 0.44
POLB P06746 1/20 0.43
F2 P00734 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
SCHEMBL4745979 0.98 KDM1A (0.49) KDM1AMAOBFPR1FPR2F10
SCHEMBL4691652 0.88 FPR1 (0.48) KDM1AMAOBFPR1FPR2F10
SCHEMBL4745975 0.86 NPC1 (0.48) KDM1AMAOBFPR1FPR2F10
SCHEMBL4691701 0.82 MAPKAPK2 (0.46) KDM1AMAOBF10NPC1SMN1; SMN2
SCHEMBL5445580 0.81 KLK5 (0.40) KDM1AMAOBF10NPC1SMN1; SMN2
SCHEMBL5442494 0.81 KDM1A (0.52) KDM1AMAOBF10SMN1; SMN2RAB9A
SCHEMBL4690375 0.80 MAPKAPK2 (0.46) KDM1AMAOBF10NPC1SMN1; SMN2
SCHEMBL5435864 0.80 F10 (0.57) F10KMT2AALDH1A1
SCHEMBL5436044 0.79 F10 (0.41) KDM1AMAOBF10SMN1; SMN2RAB9A
SCHEMBL5435692 0.79 KDM1A (0.52) KDM1AMAOBF10SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 484/4885FPR1 1274/4885

“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.