SCHEMBL3962697

SCHEMBL3962697

O=C(O)c1cc2ccccc2n1CCc1ccc(Cl)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 11/20 0.62
F10 P00742 1/20 0.58
CYP1A2 P05177 2/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
MCL1 Q07820 4/20 0.52
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
PMP22 Q01453 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
DAO P14920 1/20 0.46

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
SCHEMBL3963211 0.88 CCR2 (0.73) CCR2CYP1A2ALDH1A1CYP3A4CYP2D6
SCHEMBL3958983 0.83 KDM4E (0.59) CCR2F10ALDH1A1MCL1NPSR1
SCHEMBL3960926 0.83 CCR2 (0.80) CCR2F10CYP1A2ALDH1A1POLB
SCHEMBL27640635 0.79 CCR2 (0.65) CCR2CYP1A2ALDH1A1POLB
SCHEMBL1422436 0.78 CCR2 (0.74) CCR2CYP1A2ALDH1A1POLBMCL1
SCHEMBL13701158 0.77 CCR2 (0.69) CCR2CYP1A2ALDH1A1POLBMCL1
SCHEMBL8358648 0.77 CCR2 (0.64) CCR2F10CYP1A2ALDH1A1CYP3A4
SCHEMBL3961949 0.77 CCR2 (1.00) CCR2
SCHEMBL5254835 0.76 CCR2 (0.67) CCR2CYP1A2ALDH1A1POLBMCL1
SCHEMBL3966109 0.76 CCR2 (0.78) CCR2CYP1A2ALDH1A1POLBMCL1

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 14 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 claimed
US-6906084-B2 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-14 US claimed
JP-2005514365-A 2005-05-19 JP claimed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP claimed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 US claimed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 WO claimed
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
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
EP-1314733-A1 Indole-2-carboxamides as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2003-05-28 EP 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 CCR2 1071/4885F10 10/4885CYP1A2 203/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 CCR2 851/4885F10 9/4885CYP1A2 215/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 CCR2 1193/4885F10 8/4885CYP1A2 213/4885

“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.