SCHEMBL844672

SCHEMBL844672

Clc1ccc(Br)cc1CBr

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.39
HTR2A P28223 2/20 0.39
KCNH2 Q12809 2/20 0.39
ALDH1A1 P00352 1/20 0.37
PYCR1 P32322 1/20 0.36
CCR5 P51681 3/20 0.35
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
P2RX7 Q99572 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL29680819 1.00 SLC6A4 (0.39) SLC6A4HTR2AKCNH2ALDH1A1PYCR1
Alcohol SCHEMBL1097067 0.90 ALDH1A1 (0.40) SLC6A4HTR2AKCNH2ALDH1A1PYCR1
SCHEMBL155606 0.81 SLC6A4 (0.39) SLC6A4HTR2AKCNH2ALDH1A1PYCR1
SCHEMBL30345107 0.81 PYCR1 (0.47) SLC6A4HTR2AKCNH2ALDH1A1PYCR1
SCHEMBL307792 0.81 PYCR1 (0.47) SLC6A4HTR2AKCNH2ALDH1A1PYCR1
SCHEMBL500031 0.80 SLC6A4 (0.37) SLC6A4HTR2AKCNH2ALDH1A1CCR5
SCHEMBL43286 0.79 GABRA1 (0.44) SLC6A4HTR2AKCNH2ALDH1A1PYCR1
SCHEMBL1758977 0.79 CCR5 (0.49) SLC6A4HTR2AKCNH2ALDH1A1PYCR1
SCHEMBL154181 0.79 PTGDR2 (0.44) SLC6A4HTR2AKCNH2ALDH1A1PYCR1
SCHEMBL16036319 0.79 SLC6A4 (0.38) SLC6A4HTR2AKCNH2ALDH1A1PYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388615-A9 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2025-12-25 US disclosed
US-20250388606-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS MIRATI THERAPEUTICS INC (US) 2025-12-25 US disclosed
US-12398154-B2 Azaquinazoline pan-KRas inhibitors Mirati Therapeutics, Inc. (US) 2025-08-26 US disclosed
US-20250066410-A1 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2025-02-27 US disclosed
US-20240343740-A1 MACROCYCLIC GLUCAGON-LIKE PEPTIDE 1 RECEPTOR AGONISTS ELI LILLY AND COMPANY 2024-10-17 US disclosed
US-12084472-B2 Substituted 4-phenyl pyridine compounds as non-systemic TGR5 agonists ARDELYX, INC. (US) 2024-09-10 US disclosed
EP-4341255-A1 MACROCYCLIC GLUCAGON-LIKE PEPTIDE 1 RECEPTOR AGONISTS Eli Lilly and Company (US) 2024-03-27 EP disclosed
CN-117402081-A Aryl substituted amine derivative, preparation method and application thereof 南京医科大学 2024-01-16 CN disclosed
CN-117355517-A Macrocyclic glucagon-like peptide 1 receptor agonists 伊莱利利公司 2024-01-05 CN disclosed
CN-117088884-A Imidazopyridazine derivatives as GABAA receptor modulators, pharmaceutical compositions and uses 上海赛默罗德生物科技有限公司 2023-11-21 CN disclosed
WO-2006010557-A1 D-GLUCOPYRANOSYL PHENYL-SUBSTITUTED CYCLENE, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-02 WO disclosed
WO-2005092877-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZOL DERIVATIVES, DRUGS CONTAINING SAID COMPOUNDS, THE USE THEREOF AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-06 WO disclosed
US-20050209166-A1 Metabolic disorders like diabetes; inhibits sodium-dependent glucose cotransporter; 1-chloro-2-(4-cyclopentyloxybenzyl)-4-( beta -D-glucopyranos-1-yl)-benzene BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 US disclosed
EP-1085010-B1 PHENYLACETYLENE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2004-03-10 EP disclosed
US-6489487-B1 AGRICULTURAL OR HORTICULTURAL FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-03 US disclosed
US-6313071-B1 Phenylacetylene derivatives and agricultural/horticultural fungicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2001-11-06 US disclosed
EP-1103548-A1 TRIAZOLONE DERIVATIVES, USE THEREOF, AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-05-30 EP disclosed
EP-1085010-A1 PHENYLACETYLENE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2001-03-21 EP disclosed
WO-1993008166-A1 BENZO-ISOQUINOLINE DERIVATIVES AND ANALOGS AND THEIR USE IN THERAPEUTICS THE UPJOHN COMPANY (US) 1993-04-29 WO disclosed
EP-0539209-A1 Benzo-isoquinoline derivatives and analogs and their use in therapeutics THE UPJOHN COMPANY (US) 1993-04-28 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 (7 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-20240343740-A1 MACROCYCLIC GLUCAGON-LIKE PEPTIDE 1 RECEPTOR AGONISTS GLP1R, GCGR, GIPR SLC6A4 3233/4885HTR2A 857/4885KCNH2 790/4885
US-20250066410-A1 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS GPR119, GIPR, GLP1R SLC6A4 432/4885HTR2A 653/4885KCNH2 1683/4885
US-20050209166-A1 Metabolic disorders like diabetes; inhibits sodium-dependent glucose cotransporter; 1-chloro-2-(4-cyclopentyloxybenzyl)-4-( beta -D-glucopyranos-1-yl)-benzene SLC5A1, SLC5A2, SLC2A1 SLC6A4 37/4885HTR2A 2064/4885KCNH2 344/4885
US-20250388615-A9 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS GPR119, GIPR, FFAR3 SLC6A4 587/4885HTR2A 956/4885KCNH2 1190/4885
US-12084472-B2 Substituted 4-phenyl pyridine compounds as non-systemic TGR5 agonists GPR119, GIPR, GLP1R SLC6A4 432/4885HTR2A 653/4885KCNH2 1683/4885
US-12398154-B2 Azaquinazoline pan-KRas inhibitors KRAS, NRAS, HRAS SLC6A4 4763/4885HTR2A 4753/4885KCNH2 2393/4885
US-20250388606-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS SLC6A4 4665/4885HTR2A 4722/4885KCNH2 447/4885

“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.