SCHEMBL3049706

SCHEMBL3049706

COc1cc2c(cc1OCc1ccccc1)CCN=C2

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.54
REV1 Q9UBZ9 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
RCE1 Q9Y256 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE4B Q07343 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
SCHEMBL14755328 1.00 CHRNA7 (0.54) CHRNA7REV1KDM4EGLARCE1
Hydrochloric Acid SCHEMBL30842786 0.99 CHRNA7 (0.53) CHRNA7REV1KDM4EGLARCE1
Hydrochloric Acid SCHEMBL28460391 0.99 CHRNA7 (0.53) CHRNA7REV1KDM4EGLARCE1
SCHEMBL22997884 0.90 AOC3 (0.43) CHRNA7KDM4EMAPK1HSD17B10
SCHEMBL31268130 0.82 MAOA (0.47) CHRNA7KDM4EGLARCE1HSD17B10
SCHEMBL251439 0.82 MAOA (0.47) CHRNA7KDM4EGLARCE1HSD17B10
SCHEMBL17144907 0.82 MAOA (0.47) CHRNA7KDM4EGLARCE1HSD17B10
SCHEMBL28933503 0.81 PDE4D (0.44) KDM4EGLAMAPK1HSD17B10
SCHEMBL30019618 0.81 PDE4D (0.44) KDM4EGLAMAPK1HSD17B10
Hydrochloric Acid SCHEMBL4772044 0.80 MAOA (0.46) CHRNA7KDM4EGLARCE1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110054588-B Synthetic method of 6-benzyloxy-7-methoxy-3, 4-dihydroisoquinoline 江苏省原子医学研究所 2020-09-22 CN claimed
US-20250333413-A1 SUBSTITUTED PYRIDO[2,1-a]ISOQUINOLINES AS VMAT2 INHIBITORS NEUROCRINE BIOSCIENCES INC (US) 2025-10-30 US disclosed
EP-4606429-A2 VMAT2 INHIBITORS AND METHODS OF USE Neurocrine Biosciences, Inc. (US) 2025-08-27 EP disclosed
EP-4590676-A1 HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLINE VMAT2 INHIBITORS AND METHODS OF USE Neurocrine Biosciences, Inc. (US) 2025-07-30 EP disclosed
EP-4168409-B1 VMAT2 INHIBITORS AND METHODS OF USE NEUROCRINE BIOSCIENCES INC (US) 2025-05-07 EP disclosed
CN-119907800-A Hexahydro-2H-pyrido [2,1-a ] isoquinoline VMAT2 inhibitors and methods of use thereof 纽罗克里生物科学有限公司 2025-04-29 CN disclosed
WO-2024064178-A1 HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLINE VMAT2 INHIBITORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2024-03-28 WO disclosed
US-20240010647-A1 SUBSTITUTED PYRIDO[2,1-a]ISOQUINOLINES AS VMAT2 INHIBITORS NEUROCRINE BIOSCIENCES, INC. 2024-01-11 US disclosed
CN-117062815-A VMAT2 inhibitors and methods of use 纽罗克里生物科学有限公司 2023-11-14 CN disclosed
US-11718618-B2 Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors NEUROCRINE BIOSCIENCES, INC. (US) 2023-08-08 US disclosed
US-20100222340-A1 SUBSTITUTED PYRIDO [1,2-a] ISOQUINOLINE DERIVATIVES BOEHRINGER MARKUS 2010-09-02 US disclosed
EP-1551844-B1 ANTITUMORAL ANALOGS OF LAMELLARINS PHARMA MAR SAU (ES) 2010-07-28 EP disclosed
EP-2138496-A1 Antitumoral analogs of lamellarins Pharma Mar, S.A.U. (ES) 2009-12-30 EP disclosed
US-7396837-B2 Antitumoral analogs of lamellarins PHARMA MAR, S.A.U. (ES) 2008-07-08 US disclosed
EP-1851216-A2 SUBSTITUTED BENZOQUINOLIZINES AS DPP-IV INHIBITORS FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2007-11-07 EP disclosed
US-20060173030-A1 Antitumoral analogs of lamellarins PHARMA MAR, S.A.U. (ES) 2006-08-03 US disclosed
WO-2006058628-A2 SUBSTITUTED BENZOQUINOLIZINES AS DPP-IV INHIBITORS FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2006-06-08 WO disclosed
US-20060116393-A1 Substituted pyrido [2,1-a] isoquinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-06-01 US disclosed
EP-1551844-A2 ANTITUMORAL ANALOGS OF LAMELLARINS Pharma Mar, S.A.U. (ES) 2005-07-13 EP disclosed
WO-2004014917-A2 ANTITUMORAL ANALOGS OF LAMELLARINS PHARMA MAR, S.A.U. (ES) 2004-02-19 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-20060116393-A1 Substituted pyrido [2,1-a] isoquinoline derivatives DPP4, DPP7, DPP3 CHRNA7 1964/4885REV1 2521/4885KDM4E 1107/4885
US-20250333413-A1 SUBSTITUTED PYRIDO[2,1-a]ISOQUINOLINES AS VMAT2 INHIBITORS SLC18A2, SLC6A2, SLC18A1 CHRNA7 650/4885REV1 3554/4885KDM4E 1751/4885
US-20060173030-A1 Antitumoral analogs of lamellarins PLIN3, LPAR3, LPAR2 CHRNA7 1823/4885REV1 1015/4885KDM4E 4834/4885
US-11718618-B2 Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors SLC18A2, SLC6A2, SLC18A1 CHRNA7 650/4885REV1 3554/4885KDM4E 1751/4885
US-20100222340-A1 SUBSTITUTED PYRIDO [1,2-a] ISOQUINOLINE DERIVATIVES DPP4, DPP7, DPP3 CHRNA7 1963/4885REV1 2435/4885KDM4E 1088/4885
US-20240010647-A1 SUBSTITUTED PYRIDO[2,1-a]ISOQUINOLINES AS VMAT2 INHIBITORS SLC18A2, SLC6A2, SLC18A1 CHRNA7 650/4885REV1 3554/4885KDM4E 1751/4885

“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.