SCHEMBL8306422

SCHEMBL8306422

Cc1ccc(N2CCOCC2=O)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.47
F10 P00742 9/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PRKDC P78527 1/20 0.41
ALDH3A1 P30838 1/20 0.39
ALDH1A3 P47895 1/20 0.39
P2RX7 Q99572 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL8306468 0.85 ALDH1A1 (0.49) PTGS2F10L3MBTL1PRKDCALDH1A1
SCHEMBL76858 0.84 MAPT (0.62) PTGS2F10MAPTGAASMN1; SMN2
SCHEMBL8306339 0.82 ALDH1A1 (0.45) PTGS2F10L3MBTL1SMN1; SMN2PRKDC
SCHEMBL13907914 0.79 F10 (0.46) F10L3MBTL1MAPTGAASMN1; SMN2
SCHEMBL29937396 0.78 MAPT (0.51) MAPTGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL6441499 0.78 F10 (0.45) F10L3MBTL1MAPTGAASMN1; SMN2
SCHEMBL4458565 0.78 MAPT (0.51) MAPTGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL8305501 0.77 HSD17B10 (0.50) L3MBTL1GAASMN1; SMN2ALDH1A1LMNA
SCHEMBL12864867 0.76 MAPT (0.64) L3MBTL1MAPTGAASMN1; SMN2PRKDC
SCHEMBL8305486 0.76 HSD17B10 (0.45) F10GAAALDH1A3ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009034029-A2 1-SUBSTITUTED 4-HETEROCYCLYLPIPERIDINES FOR USE AS CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-19 WO disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US 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
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US 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 PTGS2 4045/4885F10 53/4885L3MBTL1 2178/4885

“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.