SCHEMBL3968814

SCHEMBL3968814

NCC(=O)N1CCC(N)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.53
GNAO1 P09471 1/20 0.53
GNAI1 P63096 1/20 0.53
CPN1 P15169 1/20 0.51
CPB2 Q96IY4 1/20 0.51
CACNA1B Q00975 2/20 0.44
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 1/20 0.41
DPP4 P27487 2/20 0.40
PREP P48147 1/20 0.40
FAP Q12884 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
SIGMAR1 Q99720 1/20 0.37
KDM1A O60341 3/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
Hydrochloric Acid SCHEMBL15808647 0.85 GNAI3 (0.45) GNAI3GNAO1GNAI1CPN1CPB2
SCHEMBL3904549 0.84 CPN1 (0.53) GNAI3GNAO1GNAI1CPN1CPB2
SCHEMBL3904551 0.82 CPN1 (0.51) GNAI3GNAO1GNAI1CPN1CPB2
SCHEMBL2439450 0.82 GNAI3 (0.53) GNAI3GNAO1GNAI1CPN1CPB2
SCHEMBL8284598 0.80 ALDH1A1 (0.64) CPN1CPB2ALDH1A1NPC1RAB9A
SCHEMBL22882344 0.80 CPN1 (0.50) CPN1CPB2ALDH1A1NPC1DPP4
Hydrochloric Acid SCHEMBL1062724 0.80 GNAI3 (0.56) GNAI3GNAO1GNAI1CPN1CPB2
SCHEMBL3427864 0.80 GNAI3 (0.51) GNAI3GNAO1GNAI1CPN1CPB2
SCHEMBL13673699 0.80 ALDH1A1 (0.64) GNAI3GNAO1GNAI1CACNA1BALDH1A1
SCHEMBL4437201 0.80 GNAI3 (0.51) GNAI3GNAO1GNAI1CPN1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 EP disclosed
US-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-12 US disclosed
WO-2007114827-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-10-11 WO disclosed
US-6906084-B2 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-14 US disclosed
US-20050043302-A1 New indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-24 US disclosed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP disclosed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 US disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 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 (3 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-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS F12, F5, F2 GNAI3 1561/4885GNAO1 2303/4885GNAI1 1227/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 GNAI3 1353/4885GNAO1 2313/4885GNAI1 1151/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 GNAI3 1663/4885GNAO1 2501/4885GNAI1 1316/4885

“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.