SCHEMBL1822683

SCHEMBL1822683

Clc1cccc(N2CCCC2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.69
HTR3B O95264 2/20 0.69
HTR3A P46098 2/20 0.69
HTR3D Q70Z44 2/20 0.69
HTR3C Q8WXA8 2/20 0.69
HTR1A P08908 2/20 0.69
HTR2A P28223 2/20 0.69
HTR7 P34969 2/20 0.69
HTR6 P50406 2/20 0.69
TP53 P04637 1/20 0.69
CYP1A2 P05177 1/20 0.69
ADRB1 P08588 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
THRB P10828 1/20 0.69
CYP2C9 P11712 1/20 0.69
HTR2C P28335 1/20 0.69
SLC6A4 P31645 1/20 0.69
CYP2C19 P33261 1/20 0.69
HTR2B P41595 1/20 0.69

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
SCHEMBL29595602 1.00 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11922752 0.98 HTR3E (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL2886576 0.96 HTR3E (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30407444 0.96 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL26770369 0.96 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11100857 0.91 ALDH1A1 (0.75) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6714846 0.91 ALDH1A1 (0.75) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9646111 0.85 ALDH1A1 (0.73) HTR3EHTR3BHTR3AHTR3DHTR3C
Fumaric Acid SCHEMBL27621715 0.85 RAB9A (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4925296 0.84 ADRB1 (0.87) 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109678776-B Preparation method of 3-aryl succinimide compound 苏州大学 2020-07-14 CN claimed
CN-109678776-A The preparation method of 3- aryl succinimide class compound 苏州大学 2019-04-26 CN claimed
US-11525123-B2 Diverse carbene transferase enzyme catalysts derived from a P450 enzyme CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-12-13 US disclosed
CN-111620839-B Preparation method for synthesizing phenyl pyrrolidine derivative in series under metal catalysis 威海海洋生物医药产业技术研究院有限公司 2022-09-16 CN disclosed
CN-112778184-B Method for arylating alpha position of tertiary amine 绍兴文理学院 2022-05-17 CN disclosed
US-20210292718-A1 DIVERSE CARBENE TRANSFERASE ENZYME CATALYSTS DERIVED FROM A P450 ENZYME CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-09-23 US disclosed
CN-112778184-A Method for arylating alpha position of tertiary amine 绍兴文理学院 2021-05-11 CN disclosed
EP-3788042-A1 BCL-2 INHIBITORS BeiGene, Ltd. (KY) 2021-03-10 EP disclosed
CN-111620839-A Preparation method for synthesizing phenyl pyrrolidine derivative in series under metal catalysis 哈尔滨工业大学(威海) 2020-09-04 CN disclosed
CN-109678776-B Preparation method of 3-aryl succinimide compound 苏州大学 2020-07-14 CN disclosed
CN-109678776-A The preparation method of 3- aryl succinimide class compound 苏州大学 2019-04-26 CN disclosed
US-20100197760-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-08-05 US disclosed
US-20100179211-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB (DK) 2010-07-15 US disclosed
US-7732473-B2 Compounds with nootropic action, their preparation, pharmaceutical compositions containing them, and use thereof NEUROTUNE AG (CH) 2010-06-08 US disclosed
EP-2155669-A1 NEW DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2010-02-24 EP disclosed
EP-2155671-A2 NEW DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2010-02-24 EP disclosed
US-20090163565-A1 Compounds with nootropic action, their preperation, pharmaceutical compositions containing them, and use thereof FARINA CARLO 2009-06-25 US disclosed
WO-2008148799-A1 NEW DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL OF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2008-12-11 WO disclosed
WO-2008148801-A2 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL OF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2008-12-11 WO disclosed
EP-1707202-A1 Organic compounds Speedel Experimenta AG (CH) 2006-10-04 EP 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-20100179211-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION PNMT, DBH, SLC6A2 HTR3E 218/4885HTR3B 72/4885HTR3A 83/4885
US-20100197760-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION SLC6A2, SLC6A3, SLC18A2 HTR3E 127/4885HTR3B 34/4885HTR3A 53/4885
US-20090163565-A1 Compounds with nootropic action, their preperation, pharmaceutical compositions containing them, and use thereof OPRL1, GRIN3B, GRIN3A HTR3E 245/4885HTR3B 72/4885HTR3A 130/4885

“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.