SCHEMBL656128

SCHEMBL656128

FC(F)(F)c1ccc(OC2CCNCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.59
HTR2C P28335 3/20 0.56
TEAD1 P28347 1/20 0.49
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
EPHX2 P34913 3/20 0.45
KDM1A O60341 1/20 0.44
IKBKB O14920 1/20 0.44
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ROCK2 O75116 1/20 0.42
PRKACA P17612 1/20 0.42
PRKCD Q05655 1/20 0.42
ROCK1 Q13464 1/20 0.42
PRKG1 Q13976 1/20 0.42
PKN1 Q16512 1/20 0.42
PKN2 Q16513 1/20 0.42
AAK1 Q2M2I8 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 SCHEMBL2249443 0.98 HRH1 (0.58) HRH1HTR2CTEAD1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL2332525 0.97 HRH1 (0.56) HRH1HTR2CTEAD1SLC6A2SLC6A4
SCHEMBL13703553 0.95 HRH1 (0.54) HRH1HTR2CTEAD1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4319301 0.94 HRH1 (0.53) HRH1HTR2CTEAD1SLC6A2SLC6A4
SCHEMBL23791472 0.90 SLC6A2 (0.50) HRH1HTR2CTEAD1SLC6A2SLC6A4
SCHEMBL23632246 0.90 SLC6A2 (0.50) HRH1HTR2CTEAD1SLC6A2SLC6A4
SCHEMBL3071569 0.90 SLC6A2 (0.50) HRH1HTR2CTEAD1SLC6A2SLC6A4
SCHEMBL29090107 0.87 TEAD1 (0.59) TEAD1SLC6A2SLC6A4EPHX2MMP12
SCHEMBL23230634 0.83 TEAD1 (0.52) TEAD1SLC6A2SLC6A4EPHX2MMP12
SCHEMBL16839494 0.83 TEAD1 (0.52) TEAD1SLC6A2SLC6A4EPHX2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118561742-A Rupestonic acid amide derivative containing nitrogen heterocycle, and preparation method and application thereof 中国科学院新疆理化技术研究所 2024-08-30 CN claimed
US-9951040-B2 1,3,5 -triazine based PI3K inhibitors as anticancer agents and a process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-04-24 US claimed
US-20170342049-A1 NOVEL 1,3,5 -TRIAZINE BASED PI3K INHIBITORS AS ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-11-30 US claimed
EP-3221307-A1 NOVEL 1,3,5 -TRIAZINE BASED PI3K INHIBITORS AS ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF Council of Scientific and Industrial Research (IN) 2017-09-27 EP claimed
WO-2016079760-A1 NOVEL 1,3,5 -TRIAZINE BASED PI3K INHIBITORS AS ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-05-26 WO claimed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP claimed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO claimed
CN-118561742-A Rupestonic acid amide derivative containing nitrogen heterocycle, and preparation method and application thereof 中国科学院新疆理化技术研究所 2024-08-30 CN disclosed
US-11918575-B2 PZA and cytochrome Bc1 inhibitor combination treatment Janssen Sciences Ireland Unlimited Company (IE) 2024-03-05 US disclosed
US-20230062100-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 US disclosed
US-20230021448-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-01-26 US disclosed
US-20230014173-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2023-01-19 US disclosed
CN-115210225-A Substituted aminoquinolones as immuno-activated DGKALPHA inhibitors 拜耳公司 2022-10-18 CN disclosed
US-6492367-B1 Sulfamato hydroxamic acid metalloprotease inhibitor G. D. SEARLE & COMPANY 2002-12-10 US disclosed
US-6448250-B1 INHIBITS THE ACTIVITY OF ONE OR MORE OF THE FOLLOWING MATRIX METALLOPROTEINASES: MMP-2, MMP-9, AND MMP-13, WHILE EXHIBITING SUBSTANTIALLY LESS INHIBITORY ACTIVITY AGAINST MMP-1 G. D. SEARLE & COMPANY 2002-09-10 US disclosed
EP-1157021-A1 SULFAMATO HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2001-11-28 EP disclosed
WO-2000046221-A1 SULFAMATO HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-08-10 WO disclosed
US-4889864-A Carbamoylimidazole derivatives and their use as fungicides HOECHST AKTIENGESELLSCHAFT (DE) 1989-12-26 US disclosed
EP-0270074-A2 Carbamoyl imidazole derivatives, process for their preparation and their use as fungicides HOECHST AKTIENGESELLSCHAFT (DE) 1988-06-08 EP disclosed
US-4031221-A ANALGESICS, TRANQUILIZERS, INDOLE COMPOUNDS AMERICAN HOECHST CORPORATION (US) 1977-06-21 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 (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-20230062100-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION DGKK, DGKG, DGKA HRH1 326/4885HTR2C 4529/4885TEAD1 3738/4885
US-20230021448-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 HRH1 698/4885HTR2C 2900/4885TEAD1 824/4885
US-20230014173-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 HRH1 2270/4885HTR2C 4787/4885TEAD1 575/4885
US-20170342049-A1 NOVEL 1,3,5 -TRIAZINE BASED PI3K INHIBITORS AS ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF PIK3CA, PIK3R5, PIK3CD HRH1 3298/4885HTR2C 3020/4885TEAD1 587/4885
US-11918575-B2 PZA and cytochrome Bc1 inhibitor combination treatment CYC1, MT-ND1, MT-CO1 HRH1 3279/4885HTR2C 4509/4885TEAD1 2266/4885

“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.