SCHEMBL1119907

SCHEMBL1119907

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
AOC3 Q16853 3/20 0.54
MEN1 O00255 5/20 0.52
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.45
CALM1 P0DP23 1/20 0.44
CAMKK2 Q96RR4 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
CETP P11597 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43

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
SCHEMBL12633238 1.00 KMT2A (0.55) KMT2AAOC3MEN1KDM4EALDH1A1
SCHEMBL17461970 0.87 AOC3 (0.51) KMT2AAOC3MEN1KDM4ESMN1; SMN2
SCHEMBL13566617 0.86 KMT2A (0.53) KMT2AAOC3MEN1KDM4EALDH1A1
SCHEMBL12573084 0.85 AOC3 (0.57) KMT2AAOC3MEN1KDM4ESMN1; SMN2
SCHEMBL27812151 0.85 KMT2A (0.52) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL25159738 0.85 AOC3 (0.64) KMT2AAOC3MEN1KDM4EALDH1A1
SCHEMBL28339061 0.85 AOC3 (0.64) KMT2AAOC3MEN1KDM4EALDH1A1
SCHEMBL747463 0.84 KMT2A (0.54) KMT2AAOC3MEN1KDM4EALDH1A1
SCHEMBL16141621 0.84 AOC3 (0.56) KMT2AAOC3MEN1KDM4ESMN1; SMN2
SCHEMBL1119876 0.84 AOC3 (0.56) KMT2AAOC3MEN1KDM4ESMN1; 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 18 patents. 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
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-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
CN-102112465-B Crystalline forms of 6- [ (4S) -2-methyl-4- (2-naphthyl) -1,2,3, 4-tetrahydroisoquinolin-7-yl ] pyridazin-3-amine BRISTOL MYERS SQUIBB CO 2014-09-24 CN disclosed
US-20140275101-A1 CRYSTALLINE FORM OF 6-[(4S)-2-METHYL-4-(2-NAPHTHYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL]PYRIDAZIN-3-AMINE CURIA GLOBAL, INC. 2014-09-18 US disclosed
US-8445494-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) 2013-05-21 US disclosed
US-8420811-B2 Tetrahydroisoquinolines and intermediates therefor BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-16 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
CN-102112465-A Crystalline forms of 6- [ (4S) -2-methyl-4- (2-naphthyl) -1,2,3, 4-tetrahydroisoquinolin-7-yl ] pyridazin-3-amine BRISTOL MYERS SQUIBB CO 2011-06-29 CN disclosed
CN-102112464-A Process for preparing tetrahydroisoquinolines BRISTOL MYERS SQUIBB CO 2011-06-29 CN 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
EP-2280955-A2 CRYSTALLINE FORM OF 6-Ý(4S)-2-METHYL-4-(2-NAPHTHYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL¨PYRIDAZIN-3-AMINE 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

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-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 KMT2A 1172/4885AOC3 3316/4885MEN1 3378/4885
US-20130060027-A1 TETRAHYDROISOQUINOLINES AND INTERMEDIATES THEREFOR FARS2, TPH1, COQ8A KMT2A 1412/4885AOC3 3481/4885MEN1 2661/4885
US-20140275101-A1 CRYSTALLINE FORM OF 6-[(4S)-2-METHYL-4-(2-NAPHTHYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL]PYRIDAZIN-3-AMINE HTR2C, SYNCRIP, SFPQ KMT2A 1172/4885AOC3 3316/4885MEN1 3378/4885
US-20150191494-A1 TETRAHYDROISOQUINOLINES AND INTERMEDIATES THEREFOR FARS2, TPH1, COQ8A KMT2A 1412/4885AOC3 3481/4885MEN1 2661/4885
US-20110077400-A1 PROCESSES FOR PREPARING TETRAHYDROISOQUINOLINES HTR2C, HTR3B, TPH2 KMT2A 1371/4885AOC3 2410/4885MEN1 2457/4885
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 KMT2A 1172/4885AOC3 3316/4885MEN1 3378/4885

“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.