SCHEMBL11922752

SCHEMBL11922752

Clc1cccc(N2CCCCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.67
HTR3B O95264 2/20 0.67
HTR3A P46098 2/20 0.67
HTR3D Q70Z44 2/20 0.67
HTR3C Q8WXA8 2/20 0.67
HTR1A P08908 2/20 0.67
HTR2A P28223 2/20 0.67
HTR7 P34969 2/20 0.67
HTR6 P50406 2/20 0.67
TP53 P04637 1/20 0.67
CYP1A2 P05177 1/20 0.67
ADRB1 P08588 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
THRB P10828 1/20 0.67
CYP2C9 P11712 1/20 0.67
HTR2C P28335 1/20 0.67
SLC6A4 P31645 1/20 0.67
CYP2C19 P33261 1/20 0.67
HTR2B P41595 1/20 0.67

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 SCHEMBL2886576 0.98 HTR3E (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29595602 0.98 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1822683 0.98 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL26770369 0.94 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30407444 0.94 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11100857 0.89 ALDH1A1 (0.75) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6714846 0.89 ALDH1A1 (0.75) HTR3EHTR3BHTR3AHTR3DHTR3C
Fumaric Acid SCHEMBL27621715 0.87 RAB9A (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22685038 0.84 ALDH1A1 (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9646111 0.83 ALDH1A1 (0.73) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101289486-B Process for synthesizing RNA monomer SHANGHAI GENECHEM CO LTD 2012-05-30 CN claimed
CN-101289486-A Process for synthesizing RNA monomer SHANGHAI GENECHEM CO LTD (CN) 2008-10-22 CN claimed
EP-4043460-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF Merck Patent GmbH (DE) 2022-08-17 EP disclosed
EP-3636636-B1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE MITSUI CHEMICALS AGRO INC (JP) 2022-07-06 EP disclosed
EP-3459948-B1 FLUORINE-CONTAINING TRIAZOLOPYRIDINE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2021-11-17 EP disclosed
CN-107383002-B Fluorine-containing triazole pyridine compounds, and preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2021-07-13 CN disclosed
US-10800776-B2 Fluorine-containing triazolopyridine, and manufacturing method, pharmaceutical composition, and application thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-10-13 US disclosed
US-20190202827-A1 FLUORINE-CONTAINING TRIAZOLOPYRIDINE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-07-04 US disclosed
EP-3459948-A1 FLUORINE-CONTAINING TRIAZOLOPYRIDINE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2019-03-27 EP disclosed
CN-108721289-A The purposes of benzo five-membered Azacyclyl piperidine derivative 沈阳海王生物技术有限公司 2018-11-02 CN disclosed
CN-107383002-A Fluorine triazole and pyridine compounds and their and preparation method thereof, pharmaceutical composition and purposes 中国科学院上海药物研究所 2017-11-24 CN disclosed
US-8236965-B2 Benzimidazole derivatives and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2012-08-07 US disclosed
CN-101289486-B Process for synthesizing RNA monomer SHANGHAI GENECHEM CO LTD 2012-05-30 CN disclosed
CN-1922183-B Nitrogenous fused heteroaromatic ring derivative BANYU PHARMA CO LTD 2010-05-26 CN disclosed
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament SOCIETE DE CONSEILS DE RECHERECHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2009-07-02 US disclosed
US-7495110-B2 Benzimidazole derivatives and their use as GnRH antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 US disclosed
CN-101289486-A Process for synthesizing RNA monomer SHANGHAI GENECHEM CO LTD (CN) 2008-10-22 CN disclosed
US-7368434-B2 Compounds useful for the inhibition of ALDH THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 2008-05-06 US disclosed
CN-1922183-A Nitrogenous fused heteroaromatic ring derivative BANYU PHARMA CO LTD (JP) 2007-02-28 CN disclosed
CN-1894226-A Arylalkyl- and cycloalkylalkyl-piperazine derivatives and methods of their use WYETH CORP (US) 2007-01-10 CN 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-20190202827-A1 FLUORINE-CONTAINING TRIAZOLOPYRIDINE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF GRM2, GRM1, GRIK2 HTR3E 351/4885HTR3B 130/4885HTR3A 141/4885
US-10800776-B2 Fluorine-containing triazolopyridine, and manufacturing method, pharmaceutical composition, and application thereof GRM2, GRM1, GRIK2 HTR3E 351/4885HTR3B 130/4885HTR3A 141/4885
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament GNRHR, FSHR, KISS1R HTR3E 628/4885HTR3B 630/4885HTR3A 506/4885

“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.