SCHEMBL1381114

SCHEMBL1381114

NC1CCN(c2ccncn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.58
GPR119 Q8TDV5 1/20 0.49
SORD Q00796 1/20 0.49
CYP2D6 P10635 2/20 0.46
HTR3E A5X5Y0 1/20 0.46
MEN1 O00255 1/20 0.46
HTR3B O95264 1/20 0.46
CYP1A2 P05177 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR3A P46098 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
CHEK1 O14757 2/20 0.45
CHEK2 O96017 1/20 0.45
RIPK1 Q13546 1/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44

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 SCHEMBL16684781 0.98 HRH3 (0.57) HRH3GPR119SORDCYP2D6HTR3E
SCHEMBL18239360 0.90 HRH4 (0.54) HRH3GPR119SORDCYP2D6DPP4
SCHEMBL674099 0.90 HRH4 (0.54) HRH3GPR119SORDCYP2D6DPP4
Hydrochloric Acid SCHEMBL673161 0.88 HRH4 (0.52) HRH3GPR119SORDCYP2D6DPP4
Hydrochloric Acid SCHEMBL18228434 0.88 HRH4 (0.52) HRH3GPR119SORDCYP2D6DPP4
Trifluoroacetic Acid SCHEMBL3371419 0.86 DPP4 (0.62) HRH3GPR119SORDCYP2D6RIPK1
SCHEMBL9767811 0.82
SCHEMBL15871010 0.82 GPR119 (0.49) HRH3GPR119SORDCYP2D6RIPK1
SCHEMBL29699634 0.82 SORD (0.53) HRH3GPR119SORDCYP2D6RIPK1
SCHEMBL17208274 0.82 SORD (0.53) HRH3GPR119SORDCYP2D6RIPK1

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 37 patents — showing the first 20. 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
JP-4658940-B2 2011-03-23 JP claimed
EP-1636216-B1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-07-21 EP claimed
US-7741341-B2 Benzimidazole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-22 US claimed
JP-2006528213-A 2006-12-14 JP claimed
EP-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 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
US-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 US claimed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO claimed
EP-1479676-A1 Benzimidazole-derivatives as factor xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP 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-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP disclosed
WO-2015138689-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2015-09-17 WO disclosed
CN-103025724-B Piperidine derivatives HOFFMANN LA ROCHE 2015-02-11 CN 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 (2 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-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors F12, F11, F5 HRH3 310/4885GPR119 1336/4885SORD 3095/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 HRH3 501/4885GPR119 874/4885SORD 4339/4885

“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.