SCHEMBL1119929

SCHEMBL1119929

COc1cccc(CN(C)CC(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
KMT2A Q03164 4/20 0.55
ACHE P22303 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 3/20 0.53
HSD17B2 P37059 2/20 0.51
BCHE P06276 1/20 0.49
HPGD P15428 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TAS2R14 Q9NYV8 2/20 0.48
DRD4 P21917 1/20 0.47
OPRM1 P35372 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL12573087 0.85 ACHE (0.55) ALDH1A1KDM4EKMT2AACHESMN1; SMN2
SCHEMBL747460 0.84 SMN1; SMN2 (0.57) ALDH1A1KDM4EKMT2AACHESMN1; SMN2
SCHEMBL1503329 0.84 ACHE (0.54) ALDH1A1KDM4EACHESMN1; SMN2HPGD
SCHEMBL16162264 0.82 MEN1 (0.55) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL1033654 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AACHESMN1; SMN2
SCHEMBL11284051 0.81 ACHE (0.57) ALDH1A1KDM4EACHEBCHEOPRM1
Hydrochloric Acid SCHEMBL11273784 0.81 ACHE (0.56) ALDH1A1KDM4EACHEBCHEOPRM1
SCHEMBL1039110 0.79 SIGMAR1 (0.51) ALDH1A1KDM4EKMT2AACHESMN1; SMN2
SCHEMBL11271213 0.77 ACHE (0.58) ALDH1A1KDM4EKMT2AACHESMN1; SMN2
SCHEMBL1035892 0.77 SLC2A1 (0.49) ALDH1A1ACHEHSD17B2BCHESIGMAR1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280955-B1 CRYSTALLINE FORM OF 6-Ý(4S)-2-METHYL-4-(2-NAPHTHYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL¨PYRIDAZIN-3-AMINE ALBANY MOLECULAR RES INC (US) 2017-10-18 EP disclosed
EP-2280955-B1 CRYSTALLINE FORM OF 6-Ý(4S)-2-METHYL-4-(2-NAPHTHYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL¨PYRIDAZIN-3-AMINE ALBANY MOLECULAR RES INC (US) 2017-10-18 EP disclosed
US-9498476-B2 Crystalline form of 6-[(4S)-2-methyl-4-(2-naphthyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]pyridazin-3-amine ALBANY MOLECULAR RESEARCH, INC. (US) 2016-11-22 US disclosed
US-9498476-B2 Crystalline form of 6-[(4S)-2-methyl-4-(2-naphthyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]pyridazin-3-amine ALBANY MOLECULAR RESEARCH, INC. (US) 2016-11-22 US disclosed
US-20150366864-A1 CRYSTALLINE FORM OF 6-[(4S)-2-METHYL-4-(2-NAPHTHYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL]PYRIDAZIN-3-AMINE CURIA GLOBAL, INC. 2015-12-24 US disclosed
US-20150366864-A1 CRYSTALLINE FORM OF 6-[(4S)-2-METHYL-4-(2-NAPHTHYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL]PYRIDAZIN-3-AMINE CURIA GLOBAL, INC. 2015-12-24 US disclosed
US-9156812-B2 Crystalline form of 6-[(4S)-2-methyl-4-(2-naphthyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]pyridazin-3-amine BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-13 US disclosed
US-9156812-B2 Crystalline form of 6-[(4S)-2-methyl-4-(2-naphthyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]pyridazin-3-amine BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-13 US disclosed
US-20150191494-A1 TETRAHYDROISOQUINOLINES AND INTERMEDIATES THEREFOR ALBANY MOLECULAR RESEARCH, INC. 2015-07-09 US disclosed
US-20150191494-A1 TETRAHYDROISOQUINOLINES AND INTERMEDIATES THEREFOR ALBANY MOLECULAR RESEARCH, INC. 2015-07-09 US disclosed
US-20130060027-A1 TETRAHYDROISOQUINOLINES AND INTERMEDIATES THEREFOR BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-07 US disclosed
US-20130060027-A1 TETRAHYDROISOQUINOLINES AND INTERMEDIATES THEREFOR BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-07 US disclosed
US-20110160220-A1 CRYSTALLINE FORM OF 6-[(4S)-2-METHYL-4-(2-NAPHTHYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL]PYRIDAZIN-3-AMINE Bristol-Myers Squibb Company and Albany Molecular Research, Inc. 2011-06-30 US disclosed
US-20110160220-A1 CRYSTALLINE FORM OF 6-[(4S)-2-METHYL-4-(2-NAPHTHYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL]PYRIDAZIN-3-AMINE Bristol-Myers Squibb Company and Albany Molecular Research, Inc. 2011-06-30 US disclosed
US-20110077400-A1 PROCESSES FOR PREPARING TETRAHYDROISOQUINOLINES Bristol-Myers Squibb Company and Albany Molecular Research, Inc 2011-03-31 US disclosed
US-20110077400-A1 PROCESSES FOR PREPARING TETRAHYDROISOQUINOLINES Bristol-Myers Squibb Company and Albany Molecular Research, Inc 2011-03-31 US disclosed
EP-2280956-A2 PROCESSES FOR PREPARING TETRAHYDROISOQUINOLINES Bristol-Myers Squibb Company (US) 2011-02-09 EP disclosed
WO-2009149258-A2 CRYSTALLINE FORM OF 6-[(4S)-2-METHYL-4-(2-NAPHTHYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL]PYRIDAZIN-3-AMINE BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-10 WO disclosed
WO-2009149259-A2 PROCESSES FOR PREPARING TETRAHYDROISOQUINOLINES BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-10 WO disclosed
WO-2009149259-A2 PROCESSES FOR PREPARING TETRAHYDROISOQUINOLINES BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-10 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 (5 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-20150366864-A1 CRYSTALLINE FORM OF 6-[(4S)-2-METHYL-4-(2-NAPHTHYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL]PYRIDAZIN-3-AMINE HTR2C, SYNCRIP, SFPQ ALDH1A1 2680/4885KDM4E 734/4885KMT2A 1172/4885
US-20130060027-A1 TETRAHYDROISOQUINOLINES AND INTERMEDIATES THEREFOR FARS2, TPH1, COQ8A ALDH1A1 1069/4885KDM4E 1814/4885KMT2A 1412/4885
US-20150191494-A1 TETRAHYDROISOQUINOLINES AND INTERMEDIATES THEREFOR FARS2, TPH1, COQ8A ALDH1A1 1069/4885KDM4E 1814/4885KMT2A 1412/4885
US-20110077400-A1 PROCESSES FOR PREPARING TETRAHYDROISOQUINOLINES HTR2C, HTR3B, TPH2 ALDH1A1 1784/4885KDM4E 1380/4885KMT2A 1371/4885
US-20110160220-A1 CRYSTALLINE FORM OF 6-[(4S)-2-METHYL-4-(2-NAPHTHYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL]PYRIDAZIN-3-AMINE HTR2C, SYNCRIP, SFPQ ALDH1A1 2680/4885KDM4E 734/4885KMT2A 1172/4885

“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.