SCHEMBL83377

SCHEMBL83377

FC(F)(F)c1ccccc1OC1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.57
SLC6A2 P23975 5/20 0.56
HTR1A P08908 4/20 0.56
SLC6A3 Q01959 3/20 0.56
HTR2C P28335 2/20 0.54
SLC6A4 P31645 2/20 0.51
SCD O00767 7/20 0.50

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 SCHEMBL473008 0.98 HRH1 (0.55) HRH1SLC6A2HTR1ASLC6A3HTR2C
SCHEMBL7888184 0.90 HTR1A (0.58) HRH1SLC6A2HTR1ASLC6A3HTR2C
SCHEMBL1782071 0.90 HTR1A (0.58) HRH1SLC6A2HTR1ASLC6A3HTR2C
SCHEMBL2819314 0.90 HTR1A (0.58) HRH1SLC6A2HTR1ASLC6A3HTR2C
Trifluoroacetic Acid SCHEMBL69823 0.90 HRH1 (0.51) HRH1SLC6A2HTR1ASLC6A3SCD
Hydrochloric Acid SCHEMBL2947998 0.89 HTR1A (0.57) HRH1SLC6A2HTR1ASLC6A3HTR2C
SCHEMBL31071563 0.84 SLC6A2 (0.48) HRH1SLC6A2HTR1ASLC6A3HTR2C
SCHEMBL5365259 0.83 HRH1 (0.57) HRH1SLC6A2HTR1ASLC6A3HTR2C
SCHEMBL1230447 0.83 SLC6A2 (0.54) SLC6A2HTR1ASLC6A3HTR2CSLC6A4
Hydrochloric Acid SCHEMBL3094545 0.82 HRH1 (0.55) HRH1SLC6A2HTR1ASLC6A3HTR2C

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 128 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-4674416-A1 PROTEIN AGGREGATE DECOMPOSITION PROMOTING COMPOSITION AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF NEURODEGENERATIVE DISEASES ASSOCIATED WITH PROTEIN AGGREGATE FORMATION NAGASAKI UNIVERSITY (JP) 2026-01-07 EP disclosed
WO-2024181431-A1 PROTEIN AGGREGATE DECOMPOSITION PROMOTING COMPOSITION AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF NEURODEGENERATIVE DISEASES ASSOCIATED WITH PROTEIN AGGREGATE FORMATION 国立大学法人 長崎大学 2024-09-06 WO disclosed
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-20230348415-A1 BISPECIFIC ANTAGONISTS OF RETINOL-BINDING PROTEIN 4 THAT STABILIZE TRANSTHYRETIN TETRAMERS, THEIR PREPARATION, AND USE IN THE TREATMENT OF COMMON AGE-RELATED COMORBIDITIES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-11-02 US disclosed
US-20230348415-A1 BISPECIFIC ANTAGONISTS OF RETINOL-BINDING PROTEIN 4 THAT STABILIZE TRANSTHYRETIN TETRAMERS, THEIR PREPARATION, AND USE IN THE TREATMENT OF COMMON AGE-RELATED COMORBIDITIES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-11-02 US disclosed
CN-116507613-A Bispecific antagonists of retinol binding protein 4 which stabilize transthyretin tetramer, their preparation and use in the treatment of common age-related complications 纽约哥伦比亚大学理事会 2023-07-28 CN disclosed
CN-108456204-B Benzothiazine derivative, and preparation method and application thereof 四川大学 2023-05-26 CN disclosed
WO-2007009236-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2007-01-25 WO disclosed
WO-2006130986-A1 AZACYCLOHEXANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2006-12-14 WO disclosed
WO-2006048750-A2 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBSTITUTED ADAMANTYL AMIDES PFIZER INC. (US) 2006-05-11 WO disclosed
WO-2006034338-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDIATORS OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2006-03-30 WO disclosed
WO-2005007621-A2 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-01-27 WO disclosed
US-4411904-A Diphenylpropanamines, compositions thereof and use thereof WARNER-LAMBERT COMPANY (US) 1983-10-25 US disclosed
US-4364954-A NEUROLEPTIC AGENT WARNER-LAMBERT COMPANY (US) 1982-12-21 US disclosed
US-4292321-A 1,3,8-Triazaspirodecane-4-ones, pharmaceutical compositions thereof and method of use thereof WARNER-LAMBERT COMPANY (US) 1981-09-29 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 (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-20230348415-A1 BISPECIFIC ANTAGONISTS OF RETINOL-BINDING PROTEIN 4 THAT STABILIZE TRANSTHYRETIN TETRAMERS, THEIR PREPARATION, AND USE IN THE TREATMENT OF COMMON AGE-RELATED COMORBIDITIES TTR, RBP4, RBP1 HRH1 1208/4885SLC6A2 1380/4885HTR1A 2372/4885
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 3298/4885SLC6A2 4708/4885HTR1A 2957/4885

“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.