SCHEMBL4789631

SCHEMBL4789631

O=[N+]([O-])c1ccc(C2=CCNCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.56
QDPR P09417 3/20 0.56
SIGMAR1 Q99720 2/20 0.56
KHK P50053 1/20 0.55
HTR6 P50406 3/20 0.54
HTR2A P28223 1/20 0.54
ADRA2A P08913 1/20 0.45
PNMT P11086 1/20 0.45
ADRB1 P08588 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44

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 SCHEMBL9958496 0.98 HTR2C (0.57) HTR2CQDPRSIGMAR1KHKHTR6
Tert-Butyl Formate SCHEMBL27724681 0.85 KHK (0.48) HTR2CQDPRSIGMAR1KHKHTR6
SCHEMBL4789895 0.83 HTR2C (0.57) HTR2CQDPRSIGMAR1KHKHTR6
SCHEMBL5817998 0.81 TDP1 (0.57) HTR2CQDPRSIGMAR1KHKHTR6
SCHEMBL15077316 0.79 HTR6 (0.51) HTR2CQDPRSIGMAR1KHKHTR6
SCHEMBL29742045 0.79 HTR2C (0.47) HTR2CQDPRSIGMAR1KHKHTR6
SCHEMBL14912447 0.79 HTR2C (0.47) HTR2CQDPRSIGMAR1KHKHTR6
SCHEMBL4063741 0.79 HTR6 (0.48) HTR2CQDPRSIGMAR1KHKHTR6
SCHEMBL9122080 0.77 APP (0.50)
SCHEMBL3817869 0.77 SIGMAR1 (0.50) HTR2CQDPRSIGMAR1KHKHTR6

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-120051471-A Novel heterocyclic compound 首药控股(北京)股份有限公司 2025-05-27 CN disclosed
WO-2024083111-A1 NOVEL HETEROCYCLIC COMPOUNDS 首药控股(北京)股份有限公司 2024-04-25 WO disclosed
CN-116891502-A EGFR degrading agent 上海齐鲁制药研究中心有限公司 2023-10-17 CN disclosed
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed
CN-103429585-B Indazolyl triazole derivatives as interleukin-1 receptor associated kinase inhibitors MERCK SERONO SA 2015-07-08 CN disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
CN-103429585-A Indazolyl triazole derivatives as interleukin-1 receptor associated kinase inhibitors MERCK SERONO SA 2013-12-04 CN disclosed
US-20030082623-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2003-05-01 US disclosed
US-20030077701-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2003-04-24 US disclosed
US-20030069261-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof H. LUNDBECK A/S (DK) 2003-04-10 US disclosed
EP-1299362-A1 SELECTIVE MELANIN CONCENTRATING HORMONE-1 (MCH1) RECEPTOR ANTAGONISTS AND USES THEREOF Synaptic Pharmaceutical Corporation (US) 2003-04-09 EP disclosed
EP-1246847-A2 DNA ENCODING A HUMAN MELANIN CONCENTRATING HORMONE RECEPTOR (MCH1) AND USES THEREOF Synaptic Pharmaceutical Corporation (US) 2002-10-09 EP disclosed
WO-2002006245-A1 SELECTIVE MELANIN CONCENTRATING HORMONE-1 (MCH1) RECEPTOR ANTAGONISTS AND USES THEREOF SYNAPTIC PHARMARCEUTICAL CORPORATION (US) 2002-01-24 WO disclosed
WO-2002002744-A2 DNA ENCODING A HUMAN MELANIN CONCENTRATING HORMONE RECEPTOR (MCH1) AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-01-10 WO disclosed
US-4077958-A ANTIDEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1978-03-07 US disclosed
US-4007191-A ANTIDEPRESSANT E. R. SQUIBB & SONS, INC. (US) 1977-02-08 US disclosed
US-3935227-A ANTIDEPRESSANTS, ANTIANXIETY, ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1976-01-27 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-20030082623-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R HTR2C 147/4885QDPR 497/4885SIGMAR1 159/4885
US-20030077701-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R HTR2C 147/4885QDPR 497/4885SIGMAR1 159/4885
US-20030069261-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof MCHR1, MCHR2, MC4R HTR2C 98/4885QDPR 362/4885SIGMAR1 114/4885

“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.