SCHEMBL12573136

SCHEMBL12573136

OCc1ccc(Br)c(C2OCCO2)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
SLC6A4 P31645 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL6198304 0.80 PDCD1 (0.30) PDCD1CD274
SCHEMBL10436530 0.77 SLC6A4 (0.38) PDCD1CD274SLC6A4CHRM2CHRM4
SCHEMBL2526143 0.77 DYRK1A (0.36)
SCHEMBL16956427 0.77 SLC6A4 (0.37) SLC6A4CHRM2CHRM4CHRM5CHRM1
SCHEMBL509943 0.76 CYP4F2 (0.38) PDCD1CD274CHRM2CHRM4CHRM5
SCHEMBL15783792 0.73 ACHE (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24795533 0.73 LPL (0.34)
SCHEMBL1875659 0.73 KDM1A (0.35)
SCHEMBL30601262 0.73 NPC1 (0.36)
SCHEMBL30739381 0.73 CHRNB2 (0.34) CA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2014134388-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-04 WO 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
US-20110077400-A1 PROCESSES FOR PREPARING TETRAHYDROISOQUINOLINES Bristol-Myers Squibb Company and Albany Molecular Research, Inc 2011-03-31 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-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 PDCD1 1584/4885CD274 2253/4885SLC6A4 28/4885
US-20130060027-A1 TETRAHYDROISOQUINOLINES AND INTERMEDIATES THEREFOR FARS2, TPH1, COQ8A PDCD1 1823/4885CD274 2681/4885SLC6A4 104/4885
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 PDCD1 1584/4885CD274 2253/4885SLC6A4 28/4885
US-20150191494-A1 TETRAHYDROISOQUINOLINES AND INTERMEDIATES THEREFOR FARS2, TPH1, COQ8A PDCD1 1823/4885CD274 2681/4885SLC6A4 104/4885
US-20110077400-A1 PROCESSES FOR PREPARING TETRAHYDROISOQUINOLINES HTR2C, HTR3B, TPH2 PDCD1 1603/4885CD274 3169/4885SLC6A4 112/4885
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 PDCD1 1584/4885CD274 2253/4885SLC6A4 28/4885

“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.