SCHEMBL399795

SCHEMBL399795

CN(C)Cc1ccc(Br)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.64
TAAR1 Q96RJ0 2/20 0.60
ALDH1A1 P00352 2/20 0.56
TSHR P16473 2/20 0.56
PYCR1 P32322 8/20 0.55
MAOB P27338 1/20 0.55
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 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
SCHEMBL659509 0.86 HRH3 (0.82) HRH3TAAR1ALDH1A1TSHRNOS3
SCHEMBL15128047 0.84 PYCR1 (0.67) HRH3TAAR1ALDH1A1TSHRPYCR1
SCHEMBL18598042 0.80 AOC3 (0.60) HRH3TAAR1ALDH1A1TSHRPYCR1
SCHEMBL9151599 0.80 LSS (0.68) HRH3TAAR1ALDH1A1KDM4EHTT
Hydrochloric Acid SCHEMBL9151252 0.78 LSS (0.68) HRH3TAAR1ALDH1A1KDM4EHTT
SCHEMBL1241075 0.78 KDM4E (0.69) TAAR1ALDH1A1PYCR1MAOBKDM4E
SCHEMBL12679031 0.78 HRH3 (1.00) HRH3TAAR1ALDH1A1TSHRPYCR1
SCHEMBL10814136 0.77 PYCR1 (0.63) TAAR1ALDH1A1TSHRPYCR1MAOB
SCHEMBL10050868 0.76 HRH3 (0.67) HRH3TAAR1ALDH1A1TSHRKDM4E
SCHEMBL12374 0.76 HRH3 (0.67) HRH3TAAR1ALDH1A1TSHRPYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4667054-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2025-12-24 EP disclosed
US-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND SHOUYAO HOLDINGS BEIJING CO LTD (CN) 2025-07-10 US disclosed
EP-3880660-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2025-07-02 EP disclosed
CN-113166065-B Compounds and compositions for treating disorders associated with NLRP activity 诺华股份有限公司 2025-04-15 CN disclosed
EP-4501912-A1 NOVEL HETEROCYCLIC COMPOUND Shouyao Holdings (Beijing) Co., Ltd. (CN) 2025-02-05 EP disclosed
EP-3802492-B1 COMPOUNDS USEFUL IN THE TREATMENT OF DISORDERS ASSOCIATED WITH MUTANT RAS THE INSTITUTE OF CANCER RES ROYAL CANCER HOSPITAL (GB) 2024-11-06 EP disclosed
CN-118475560-A Novel heterocyclic compound 首药控股(北京)股份有限公司 2024-08-09 CN disclosed
US-11970469-B2 Compounds useful in the treatment of disorders associated with mutant RAS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-04-30 US disclosed
CN-117417297-A Novel heterocyclic compound 首药控股(北京)股份有限公司 2024-01-19 CN disclosed
CN-117255734-A Polymer composition comprising polypropylene and hydrocarbon resin 博里利斯股份公司 2023-12-19 CN disclosed
EP-0110434-B1 STEROID INTERMEDIATES SUBSTITUTED AT POSITION 11, AND PROCESS FOR THEIR PREPARATION ROUSSEL-UCLAF (FR) 1986-10-29 EP disclosed
US-4519946-A ANTIARTHRITIC, ANTIDIABETIC, ANTISECRETORY, AND HYPOTENSIVE AGENTS ROUSSEL UCLAF (FR) 1985-05-28 US disclosed
US-4496567-A HSITAMINE H2 ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-01-29 US disclosed
EP-0110434-A1 Steroid intermediates substituted at position 11, and process for their preparation ROUSSEL-UCLAF (FR) 1984-06-13 EP disclosed
US-4447424-A ANTIFERTILITY, ANTIINFLAMMATORY AGENT, HORMONE INHIBITOR ROUSSEL UCLAF (FR) 1984-05-08 US disclosed
EP-0013071-B1 PYRIMIDINONE DERIVATIVES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-11-16 EP disclosed
US-4386085-A ANTIGLUCOCORTICOIDS ROUSSELL UCLAF (FR) 1983-05-31 US disclosed
EP-0057115-A2 Steroid derivatives substituted in the 11-beta position, process for their preparation, their utilization as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1982-08-04 EP disclosed
EP-0013071-A1 Pyrimidinone derivatives, processes for preparing them and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-07-09 EP disclosed
WO-1980000966-A1 NEW HISTAMINE H2-ANTAGONISTS SMITH KLINE FRENCH LAB (GB) 1980-05-15 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 (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-11970469-B2 Compounds useful in the treatment of disorders associated with mutant RAS KRAS, NRAS, HRAS HRH3 3017/4885TAAR1 4379/4885ALDH1A1 2940/4885
US-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND MAPT, MNAT1, MAT2A HRH3 3998/4885TAAR1 796/4885ALDH1A1 996/4885

“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.