SCHEMBL747463

SCHEMBL747463

COc1cccc(CN(C)CC(O)c2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
AOC3 Q16853 2/20 0.51
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CALM1 P0DP23 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 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
Hydrochloric Acid SCHEMBL11794630 0.99 KMT2A (0.53) KMT2AMEN1AOC3PKMSMN1; SMN2
SCHEMBL1119907 0.84 KMT2A (0.55) KMT2AMEN1AOC3PKMSMN1; SMN2
SCHEMBL12633238 0.84 KMT2A (0.55) KMT2AMEN1AOC3PKMSMN1; SMN2
SCHEMBL16284830 0.84 TAAR1 (0.53) KMT2AMEN1SMN1; SMN2KDM4EPOLB
SCHEMBL25159738 0.81 AOC3 (0.64) KMT2AMEN1AOC3SMN1; SMN2L3MBTL1
SCHEMBL28339061 0.81 AOC3 (0.64) KMT2AMEN1AOC3SMN1; SMN2L3MBTL1
SCHEMBL751380 0.79 MEN1 (0.40) KMT2AMEN1SMN1; SMN2KDM4EPOLB
SCHEMBL747464 0.79 KMT2A (0.42) KMT2AMEN1AOC3PKMSMN1; SMN2
SCHEMBL29112081 0.78 KMT2A (0.54) KMT2AMEN1AOC3SMN1; SMN2BCHE
SCHEMBL11796383 0.77 PLA2G1B (0.56) KMT2AMEN1AOC3SMN1; SMN2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2429296-B1 7-([1,2,4,]TRIAZOLO[1,5,-A]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF ALBANY MOLECULAR RES INC (US) 2017-12-27 EP disclosed
EP-2429296-B1 7-([1,2,4,]TRIAZOLO[1,5,-A]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF ALBANY MOLECULAR RES INC (US) 2017-12-27 EP disclosed
US-9173879-B2 Crystalline forms of (S)-7-([1,2,4]triazolo[1,5-a ]pyridin-6-yl)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-03 US disclosed
US-9173879-B2 Crystalline forms of (S)-7-([1,2,4]triazolo[1,5-a ]pyridin-6-yl)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-03 US disclosed
US-20140364441-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2014-12-11 US disclosed
US-20140364441-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2014-12-11 US disclosed
EP-2429293-B1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROHPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2014-10-29 EP disclosed
EP-2429293-B1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROHPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2014-10-29 EP disclosed
US-8815894-B2 Crystalline forms of (S)-7-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
US-8815894-B2 Crystalline forms of (S)-7-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
US-8802696-B2 7-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoqu inoli and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-08-12 US disclosed
US-8802696-B2 7-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoqu inoli and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-08-12 US disclosed
EP-2429296-A1 7-([1,2,4,]TRIAZOLO[1,5,-A]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF Albany Molecular Research, Inc. (US) 2012-03-21 EP disclosed
EP-2429293-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROHPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF Bristol-Myers Squibb Company (US) 2012-03-21 EP disclosed
WO-2010132442-A1 7-([1,2,4,]TRIAZOLO[1,5,-A]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF ALBANY MOLECULAR RESERCH, INC. (US) 2010-11-18 WO disclosed
WO-2010132487-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROHPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-18 WO disclosed
US-20100292250-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 US disclosed
US-20100292250-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 US disclosed
US-20100292243-A1 7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 US disclosed
US-20100292243-A1 7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 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 (3 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-20100292250-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF UACA, SCN1A, NLN KMT2A 3375/4885MEN1 567/4885AOC3 585/4885
US-20140364441-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF UACA, SCN1A, NLN KMT2A 3375/4885MEN1 567/4885AOC3 585/4885
US-20100292243-A1 7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF CIAPIN1, CLN6, SCN1A KMT2A 2951/4885MEN1 464/4885AOC3 490/4885

“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.