SCHEMBL3922304

SCHEMBL3922304

OC1CNCc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
KMT2A Q03164 1/20 0.56
HTR2A P28223 2/20 0.47
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
PNMT P11086 1/20 0.39
CD44 P16070 1/20 0.39
MAOB P27338 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37

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
SCHEMBL31062493 1.00 MEN1 (0.56) MEN1CYP3A4CYP2D6KMT2AHTR2A
Hydrochloric Acid SCHEMBL10957229 0.98 MEN1 (0.55) MEN1CYP3A4CYP2D6KMT2AHTR2A
Hydrochloric Acid SCHEMBL29457654 0.98 MEN1 (0.55) MEN1CYP3A4CYP2D6KMT2AHTR2A
Acetic Acid SCHEMBL38655310 0.89 MEN1 (0.51) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL1520386 0.80 HTR2C (0.62) CYP3A4HTR2AHTR2CHTR2BPNMT
SCHEMBL18071812 0.80 HTR2C (0.62) CYP3A4HTR2AHTR2CHTR2BPNMT
SCHEMBL25111788 0.75 MEN1 (0.56) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL329626 0.75 HTR2C (0.67) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL31159134 0.75 HTR2C (0.67) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL2026301 0.75 MEN1 (0.56) MEN1CYP3A4CYP2D6KMT2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009005459-A1 PHENYL-1,2, 3,4-TETRAHYDROISOQUINOLINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF A PAIN DISORDER ASTRAZENECA AB (SE) 2009-01-08 WO claimed
CN-101119969-A Aryl and heteroaryl substituted tetrahydroisoquinolines and their use to block reuptake of norepinephrine, dopamine, and serotonin AMR TECHNOLOGY INC (US) 2008-02-06 CN claimed
EP-0214905-A2 Tetrahydroisoquinoline derivatives MITSUBISHI KASEI CORPORATION (JP) 1987-03-18 EP claimed
EP-0058932-B1 4-ARYLOXY-1,2,3,4-TETRAHYDROISOQUINOLINES, AND INTERMEDIATES, A PROCESS FOR PREPARING THE SAME, A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-07-17 EP claimed
EP-0058932-A2 4-Aryloxy-1,2,3,4-tetrahydroisoquinolines, and intermediates, a process for preparing the same, a pharmaceutical composition containing the same and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1982-09-01 EP claimed
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 US disclosed
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 US disclosed
EP-4225447-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076620-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-4410699-A ANALGESICS, ANTICONVULSANTS, HYPOTENSIVE AGENTS, DIURETICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-10-18 US disclosed
US-4410699-A ANALGESICS, ANTICONVULSANTS, HYPOTENSIVE AGENTS, DIURETICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-10-18 US disclosed
US-4375471-A ANTICONVULSANTS, ANALGERSICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-03-01 US disclosed
EP-0071919-A2 Spiro(benzofuran-2(3H),4'(2'H)-isoquinoline)s, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1983-02-16 EP disclosed
US-4374137-A ANALGESIC, ANTICONVULSANT, HYPOTENSIVE, DIURETIC HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-02-15 US disclosed
EP-0058932-A2 4-Aryloxy-1,2,3,4-tetrahydroisoquinolines, and intermediates, a process for preparing the same, a pharmaceutical composition containing the same and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1982-09-01 EP disclosed
US-4028363-A Isoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 1977-06-07 US disclosed
US-4028363-A Isoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 1977-06-07 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 (2 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-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B MEN1 4581/4885CYP3A4 4020/4885CYP2D6 4377/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C MEN1 4388/4885CYP3A4 1177/4885CYP2D6 571/4885

“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.