SCHEMBL6207612

SCHEMBL6207612

Cc1ccccc1C1=NCCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.52
NOS2 P35228 1/20 0.52
MAOA P21397 3/20 0.46
NISCH Q9Y2I1 1/20 0.43
PKM P14618 1/20 0.43
RAD52 P43351 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK10 P53779 3/20 0.39
MAPK14 Q16539 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 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
SCHEMBL29498353 1.00 NOS3 (0.52) NOS3NOS2MAOANISCHPKM
SCHEMBL2226165 0.85 NOS3 (0.45) NOS3NOS2MAOANISCHPKM
SCHEMBL30710409 0.82 TDP1 (0.45) NOS3NOS2MAOANISCHPKM
SCHEMBL29010834 0.80 NOS2 (0.46) NOS3NOS2MAOAPKMRAD52
SCHEMBL13805616 0.79 NOS3 (0.49) NOS3NOS2MAOAPKMALDH1A1
SCHEMBL18044406 0.78 NOS3 (0.56) NOS3NOS2MAOAPKMRAD52
SCHEMBL1973786 0.78 NOS3 (0.52) NOS3NOS2MAOAPKMRAD52
SCHEMBL2796745 0.77 PKM (0.57) NOS3NOS2MAOAPKMRAD52
SCHEMBL29384557 0.77 MAPK10 (0.55) NOS3NOS2MAOAALDH1A1KDM4E
SCHEMBL163051 0.77 MAPK10 (0.55) NOS3NOS2MAOAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114195713-B Method for synthesizing dihydroisoquinoline by catalyzing selective dehydrogenation of tetrahydroisoquinoline 广东众源药业有限公司 2023-11-17 CN disclosed
EP-4135698-A2 SMALL MOLECULE ANTIVIRAL DRUG TREATMENT FOR HUMAN PAPILLOMAVIRUS INFECTIONS The Trustees of Indiana University (US) 2023-02-22 EP disclosed
US-20230047626-A1 SMALL MOLECULE ANTIVIRAL DRUG TREATMENT FOR HUMAN PAPILLOMAVIRUS INFECTIONS THE TRUSTEES OF INDIANA UNIVERSITY 2023-02-16 US disclosed
US-20220142973-A1 SMALL MOLECULE ANTIVIRAL DRUG TREATMENT FOR HUMAN PAPILLOMAVIRUS INFECTIONS THE TRUSTEES OF INDIANA UNIVERSITY 2022-05-12 US disclosed
CN-114195713-A Method for synthesizing dihydroisoquinoline by catalyzing selective dehydrogenation of tetrahydroisoquinoline 西安石油大学 2022-03-18 CN disclosed
WO-2021212010-A2 SMALL MOLECULE ANTIVIRAL DRUG TREATMENT FOR HUMAN PAPILLOMAVIRUS INFECTIONS THE TRUSTEES OF INDIANA UNIVERSITY (US) 2021-10-21 WO disclosed
US-10600975-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2020-03-24 US disclosed
US-20190157576-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2019-05-23 US disclosed
CN-108698997-A Histone demethylase inhibitors 赛尔基因昆蒂赛尔研究公司 2018-10-23 CN disclosed
US-20130248832-A1 Phosphorescent Materials UNIVERSAL DISPLAY CORPORATION 2013-09-26 US disclosed
EP-1487798-A4 SUBSTITUTED TETRAHYDROISOQUINOLINES AS C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2005-07-13 EP disclosed
US-6916830-B2 Substituted tetrahydroisoquinolines as C5a receptor modulators NEUROGEN CORPORATION (US) 2005-07-12 US disclosed
EP-1487798-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES AS C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2004-12-22 EP disclosed
US-20040204446-A1 Nitrogen compounds such as N-(2-Fluoro-benzyl)-N-indan-2-yl-2-(3-methyl-2-o-tolyl-piperidin-1-yl) -acetamide, administered for prophylaxis arthritis, psoriasis, cardiovascular disorders, reperfusion injury or respiratory system disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-10-14 US disclosed
US-6777422-B2 FOR TREATING A VARIETY OF INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NEUROGEN CORP. 2004-08-17 US disclosed
US-20040006069-A1 Substituted tetrahydroisoquinolines as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-01-08 US disclosed
WO-2003082828-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 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-20230047626-A1 SMALL MOLECULE ANTIVIRAL DRUG TREATMENT FOR HUMAN PAPILLOMAVIRUS INFECTIONS TP53, EIF2AK2, POLI NOS3 3977/4885NOS2 4037/4885MAOA 4493/4885
US-20040006069-A1 Substituted tetrahydroisoquinolines as C5a receptor modulators C5AR1, C3AR1, C5AR2 NOS3 3530/4885NOS2 3796/4885MAOA 856/4885
US-20220142973-A1 SMALL MOLECULE ANTIVIRAL DRUG TREATMENT FOR HUMAN PAPILLOMAVIRUS INFECTIONS TP53, EIF2AK2, POLI NOS3 3977/4885NOS2 4037/4885MAOA 4493/4885
US-10600975-B2 Organic electroluminescent materials and devices TERT, OR10J3, RUVBL2 NOS3 2512/4885NOS2 2481/4885MAOA 2592/4885
US-20040204446-A1 Nitrogen compounds such as N-(2-Fluoro-benzyl)-N-indan-2-yl-2-(3-methyl-2-o-tolyl-piperidin-1-yl) -acetamide, administered for prophylaxis arthritis, psoriasis, cardiovascular disorders, reperfusion injury or respiratory system disorders C5AR1, C3AR1, C5AR2 NOS3 133/4885NOS2 50/4885MAOA 546/4885
US-20190157576-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES PIEZO1, ORAI2, PORCN NOS3 3248/4885NOS2 2636/4885MAOA 2586/4885

“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.