SCHEMBL532873

SCHEMBL532873

O=C1CNCCN1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SIGMAR1 Q99720 3/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
ADRB1 P08588 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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 SCHEMBL2854834 0.98 SLC6A2 (0.49) NPC1RAB9AMEN1KMT2ASIGMAR1
SCHEMBL5480292 0.89 SLC6A2 (0.60) NPC1RAB9AMEN1KMT2ASIGMAR1
Trifluoroacetic Acid SCHEMBL1583570 0.87 MAPKAPK2 (0.40) NPC1RAB9AMEN1KMT2ASIGMAR1
SCHEMBL18553759 0.85 LTA4H (0.58) SLC6A2SLC6A4SLC6A3MAPTTDP1
SCHEMBL4763520 0.85 SLC6A2 (0.43) NPC1RAB9AMEN1KMT2ASIGMAR1
SCHEMBL85663 0.83 SLC6A2 (0.50) NPC1RAB9AMEN1KMT2ASLC6A2
SCHEMBL4396319 0.83 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3MAPKAPK2
SCHEMBL3656969 0.83 SLC6A2 (0.50) RAB9ASLC6A2SLC6A4SLC6A3MAPT
SCHEMBL5767402 0.81 ADRB2 (0.52) SLC6A2SLC6A4SLC6A3MAPKAPK2
Hydrochloric Acid SCHEMBL1583516 0.81 SLC6A2 (0.51) RAB9ASLC6A2SLC6A4SLC6A3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 US claimed
WO-2015038417-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2015-03-19 WO claimed
US-12600711-B2 Triazacyclododecansulfonamide (TCD)-based protein secretion inhibitors KEZAR LIFE SCIENCES, INC. (US) 2026-04-14 US disclosed
US-20250382301-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF UNIV ARIZONA (US) 2025-12-18 US disclosed
WO-2025137146-A1 SUBSTITUTED HETEROARYL ANALOGS AND USES THEREOF FOR THE TREATMENT OF HIV-ASSOCIATED NEUROCOGNITIVE DISORDERS MOUKHA CHAFIQ OMAR (US) 2025-06-26 WO disclosed
EP-4543888-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF Arizona Board of Regents on behalf of The University of Arizona (US) 2025-04-30 EP disclosed
CN-118742543-A Dihydro isoquinoline compound and medical application thereof 中国科学院上海药物研究所 2024-10-01 CN disclosed
WO-2024186839-A1 BICYCLIC ARYL SULFONAMIDES, SULFONES, AND SULFONATE ESTERS AS ANTI-PARASITIC AGENTS UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2024-09-12 WO disclosed
WO-2024151809-A1 INHIBITORS OF BONE MORPHOGENETIC PROTEIN RECEPTOR TYPE 2 (BMPR2) AND METHODS USING SAME BAYLOR COLLEGE OF MEDICINE (US) 2024-07-18 WO disclosed
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-07-04 US disclosed
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-07-04 US disclosed
EP-1244671-A1 TRIAZOLO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2002-10-02 EP disclosed
EP-1242423-A1 SUBSTITUTED 1,2,3-TRIAZOLO 1,5-a]QUINAZOLINES FOR ENHANCING COGNITION MERCK SHARP & DOHME LTD. (GB) 2002-09-25 EP disclosed
US-20020099061-A1 Adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. 2002-07-25 US disclosed
WO-2002044165-A1 QUINOLINE DERIVATIVES AS NK-3 ANTAGONISTS GLAXOSMITHKLINE SPA (IT) 2002-06-06 WO disclosed
WO-2001092264-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2001-12-06 WO disclosed
WO-2001087838-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2001-11-22 WO disclosed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 WO disclosed
WO-2001044250-A1 SUBSTITUTED 1,2,3-TRIAZOLO[1,5-a]QUINAZOLINES FOR ENHANCING COGNITION MERCK SHARP & DOHME LIMITED (GB) 2001-06-21 WO disclosed
WO-2001044249-A1 TRIAZOLO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2001-06-21 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 (5 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-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS SRC, PTK2, FYN NPC1 4859/4885RAB9A 2079/4885MEN1 4749/4885
US-20020099061-A1 Adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA2B NPC1 1333/4885RAB9A 989/4885MEN1 4567/4885
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ADORA2A, ADORA1, ADORA2B NPC1 1517/4885RAB9A 2002/4885MEN1 2030/4885
US-20250382301-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK3, CLK1 NPC1 2885/4885RAB9A 946/4885MEN1 407/4885
US-12600711-B2 Triazacyclododecansulfonamide (TCD)-based protein secretion inhibitors CD274, CD40, ICOS NPC1 993/4885RAB9A 1646/4885MEN1 3088/4885

“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.