SCHEMBL6752172

SCHEMBL6752172

CCCNCCc1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.65
ALDH1A1 P00352 2/20 0.65
CYP2C19 P33261 1/20 0.65
HRH3 Q9Y5N1 1/20 0.65
LMNA P02545 2/20 0.62
TAAR1 Q96RJ0 1/20 0.62
ALOX15 P16050 1/20 0.62
TDP1 Q9NUW8 1/20 0.54
CYP2D6 P10635 1/20 0.54
CHRM2 P08172 1/20 0.51
HRH1 P35367 1/20 0.50
DPP7 Q9UHL4 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
APP P05067 2/20 0.48

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
SCHEMBL1921574 0.90 HRH3 (0.70) CYP1A2ALDH1A1CYP2C19HRH3LMNA
SCHEMBL5707525 0.89 CYP1A2 (0.61) CYP1A2ALDH1A1CYP2C19HRH3LMNA
SCHEMBL23053146 0.88 CYP1A2 (0.69) CYP1A2ALDH1A1CYP2C19HRH3LMNA
SCHEMBL1677571 0.88 CHRM2 (0.60) CYP1A2ALDH1A1CYP2C19HRH3LMNA
SCHEMBL746674 0.87 CYP1A2 (0.67) CYP1A2ALDH1A1CYP2C19HRH3LMNA
SCHEMBL10939198 0.86 CHRM2 (0.63) CYP1A2ALDH1A1CYP2C19HRH3LMNA
SCHEMBL28994369 0.86 CHRM2 (0.63) CYP1A2ALDH1A1CYP2C19HRH3LMNA
SCHEMBL7004091 0.84 HRH3 (0.79) CYP1A2ALDH1A1CYP2C19HRH3LMNA
SCHEMBL434742 0.83 CHRM2 (0.68) CYP1A2ALDH1A1CYP2C19HRH3LMNA
SCHEMBL10931346 0.81 CYP1A2 (0.60) CYP1A2ALDH1A1CYP2C19HRH3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 EP disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 US disclosed
US-6730783-B2 REACTING AMINOGUANIDINE WITH CARBONYL COMPOUND TO FORM AMIDINOHYDRAZONE; REDUCTION; REACTING WITH ALKOXYAMINE; GUANIDINYLATION; ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-05-04 US disclosed
US-6706765-B2 ESPECIALLY TRYPSIN-LIKE SERINE PROTEASES, SUCH AS CHYMOTRYPSIN, TRYPSIN, THROMBIN, PLASMIN AND FACTOR XA. 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-03-16 US disclosed
US-20040002539-A1 Process for preparing aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-01 US disclosed
US-6638931-B1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-10-28 US disclosed
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-08-21 US disclosed
US-6518310-B2 Non-peptidic; inhibits trypsin-like protease, thrombin and embolus formation; anticoagulant 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-11 US disclosed
EP-0944590-B1 AMINOGUANIDINES AND ALKOXYGUANIDINES AS PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-03-20 EP disclosed
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-11-01 US disclosed
US-6235778-B1 ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-05-22 US disclosed
US-4291150-A INTERFACIAL POLYMERIZATION GENERAL ELECTRIC CO. (US) 1981-09-22 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 (6 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-20040002539-A1 Process for preparing aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 CYP1A2 2373/4885ALDH1A1 3412/4885CYP2C19 179/4885
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS IDO1, IDO2, INMT CYP1A2 162/4885ALDH1A1 236/4885CYP2C19 474/4885
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors PLG, MMP9, F9 CYP1A2 2252/4885ALDH1A1 2867/4885CYP2C19 204/4885
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 CYP1A2 2265/4885ALDH1A1 3151/4885CYP2C19 206/4885
US-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 CYP1A2 59/4885ALDH1A1 1193/4885CYP2C19 7/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 CYP1A2 164/4885ALDH1A1 1995/4885CYP2C19 27/4885

“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.