SCHEMBL1503329

SCHEMBL1503329

CN(CC(=O)c1ccc2ccccc2c1)Cc1cccc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
PTPN1 P18031 1/20 0.48
SIGMAR1 Q99720 4/20 0.47
TMEM97 Q5BJF2 3/20 0.47
OPRM1 P35372 2/20 0.47
PYCR1 P32322 1/20 0.46
DRD4 P21917 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
RIPK1 Q13546 1/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
PTGES O14684 1/20 0.43
MAOB P27338 1/20 0.42
DHODH Q02127 1/20 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
SCHEMBL12573087 0.86 ACHE (0.55) ACHEPTPN1SIGMAR1TMEM97OPRM1
SCHEMBL14864830 0.85 PTPN1 (0.49) ACHEPTPN1DRD4SMN1; SMN2KDM4E
SCHEMBL1119929 0.84 ALDH1A1 (0.56) ACHESIGMAR1TMEM97OPRM1DRD4
SCHEMBL747630 0.83 PYCR1 (0.49) ACHESIGMAR1TMEM97PYCR1SMN1; SMN2
SCHEMBL1034257 0.82 ACHE (0.52) ACHESIGMAR1PYCR1HPGDRIPK1
SCHEMBL11271213 0.78 ACHE (0.58) ACHESIGMAR1TMEM97OPRM1SMN1; SMN2
SCHEMBL5169593 0.78 ACHE (0.57) ACHEPTPN1SIGMAR1TMEM97OPRM1
Hydrochloric Acid SCHEMBL11277277 0.77 ACHE (0.56) ACHESIGMAR1TMEM97OPRM1SMN1; SMN2
SCHEMBL19502562 0.76 PYCR1 (0.38) ACHESIGMAR1TMEM97PYCR1DRD4
SCHEMBL10432123 0.76 TMEM97 (0.58) ACHESIGMAR1TMEM97PYCR1SMN1; SMN2

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 35 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-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-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-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-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
US-20110077400-A1 PROCESSES FOR PREPARING TETRAHYDROISOQUINOLINES Bristol-Myers Squibb Company and Albany Molecular Research, Inc 2011-03-31 US 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 ACHE 233/4885PTPN1 1971/4885SIGMAR1 445/4885
US-20130060027-A1 TETRAHYDROISOQUINOLINES AND INTERMEDIATES THEREFOR FARS2, TPH1, COQ8A ACHE 261/4885PTPN1 4360/4885SIGMAR1 1462/4885
US-20110077400-A1 PROCESSES FOR PREPARING TETRAHYDROISOQUINOLINES HTR2C, HTR3B, TPH2 ACHE 170/4885PTPN1 4200/4885SIGMAR1 1987/4885
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 ACHE 233/4885PTPN1 1971/4885SIGMAR1 445/4885

“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.