SCHEMBL4735120

SCHEMBL4735120

C=C(c1ccccc1C)N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
ALDH1A1 P00352 7/20 0.43
GAA P10253 4/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MAPT P10636 4/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 2/20 0.41

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
SCHEMBL20862100 0.82 ALDH1A1 (0.51) HTTALDH1A1GAAKDM4ECYP2C9
SCHEMBL14344856 0.77 HTT (0.56) HTTALDH1A1GAAKDM4ELMNA
SCHEMBL1520613 0.77 HTT (0.89) HTTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL30530619 0.77 HTT (0.89) HTTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4965838 0.77 KMT2A (0.47) HTTALDH1A1GAALMNANPSR1
SCHEMBL4962542 0.77 HPGD (0.50) HTTALDH1A1GAAKDM4ELMNA
SCHEMBL5948593 0.77 NPC1 (0.49) ALDH1A1GAALMNAMAPTHPGD
SCHEMBL4963561 0.77 KMT2A (0.51) HTTALDH1A1GAALMNAMAPT
SCHEMBL18544668 0.76 LMNA (0.50) ALDH1A1GAALMNAMAPTHPGD
SCHEMBL10330512 0.76 HTT (0.86) HTTALDH1A1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606265-B1 2, 4- DI (PHENYLAMINO) PYRIMIDINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2011-02-02 EP disclosed
EP-2275413-A1 2,4-di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders. Novartis AG (CH) 2011-01-19 EP disclosed
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles NYCOMED GMBH (DE) 2008-11-13 US disclosed
WO-2008074858-A1 INTERMEDIATES AND PROCESS FOR THE PRODUCTION OF 5-SUBSTITUTED TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2008-06-26 WO disclosed
EP-1904454-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES Nycomed GmbH (DE) 2008-04-02 EP disclosed
WO-2007141253-A1 PROCESS FOR THE PRODUCTION OF INTERMEDIATES FOR THE PREPARATION OF TRICYCLIC IMIDAZOPYRIDINES NYCOMED GMBH (DE) 2007-12-13 WO disclosed
US-20070066674-A1 Tricyclic imidzopyridines for use as gastric secretion inhibitors ALTANA PHARMA AG (DE) 2007-03-22 US disclosed
WO-2006136552-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2006-12-28 WO disclosed
EP-1696921-A1 TRICYCLIC IMIDAZOPYRIDINES FOR USE AS GASTRIC SECRETION INHIBITORS Altana Pharma AG (DE) 2006-09-06 EP disclosed
WO-2005058325-A1 TRICYCLIC IMIDAZOPYRIDINES FOR USE AS GASTRIC SECRETION INHIBITORS ALTANA PHARMA AG (DE) 2005-06-30 WO disclosed
US-5491233-A Catalytic asymmetric reduction of trisubstituted olefins MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1996-02-13 US disclosed
US-5489682-A Catalytic asymmetric reduction of enamines MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1996-02-06 US disclosed
WO-1995002567-A1 CATALYTIC ASYMMETRIC REDUCTION OF TRISUBSTITUTED OLEFINS AND ENAMINES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1995-01-26 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-20070066674-A1 Tricyclic imidzopyridines for use as gastric secretion inhibitors GIPR, SLC10A2, GRPR HTT 1383/4885ALDH1A1 1722/4885GAA 37/4885
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles CYP1B1, CYP1A1, CYP3A4 HTT 3326/4885ALDH1A1 76/4885GAA 1471/4885

“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.