SCHEMBL514610

SCHEMBL514610

[c]1cccc(OC2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.42
SLC6A4 P31645 9/20 0.36
SLC6A2 P23975 9/20 0.36
SLC6A3 Q01959 9/20 0.36
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
HTR7 P34969 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL231149 0.92 HRH1 (0.40) HRH1SLC6A4SLC6A2SLC6A3CARM1
SCHEMBL22697 0.92 HRH1 (0.40) HRH1SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL2921788 0.90 HRH1 (0.39) HRH1SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL676540 0.90 HRH1 (0.39) HRH1SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL22141 0.90 HRH1 (0.39) HRH1SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL62138 0.87 HRH1 (0.62) HRH1SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL16987030 0.87 KAT2B (0.37) HRH1SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL26088407 0.84 CARM1 (0.36) HRH1SLC6A4SLC6A2SLC6A3CARM1
SCHEMBL4361213 0.84 HRH1 (0.35) HRH1SLC6A4SLC6A2SLC6A3CHRNB2
SCHEMBL7020382 0.84 HRH3 (0.53) SLC6A2SLC6A3CARM1PRMT6HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145659-A1 HETEROCYCLE FUSED GAMMA-CARBOLINES ACTING ON THE SEROTONINE 5-HT2A RECEPTOR INTRA-CELLULAR THERAPIES, INC. (US) 2024-07-04 WO disclosed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
US-20220363664-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 PRAGMA THERAPEUTICS (FR) 2022-11-17 US disclosed
CN-108699028-B Substituted 4-phenylpyridines as non-systemic TGR5 agonists 阿德利克斯公司 2021-10-22 CN disclosed
CN-112041313-A Pyridine-sulfonamide compounds and their use against pain and related conditions 基因泰克公司 2020-12-04 CN disclosed
US-20200231563-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 PRAGMA THERAPEUTICS (FR) 2020-07-23 US disclosed
EP-3672950-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 Pragma Therapeutics (FR) 2020-07-01 EP disclosed
CN-111148744-A Novel heterocyclic compounds as MGLUR7 modulators 布拉格玛治疗公司 2020-05-12 CN disclosed
EP-2970215-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2019-04-17 EP disclosed
WO-2019063596-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 PRAGMA THERAPEUTICS (FR) 2019-04-04 WO disclosed
US-20070060608-A1 Combination products with carboxylic acid derivatives that inhibit the binding of integrins to their receptors and other therapeutic compounds ENCYSIVE PHARMACEUTICALS INC. (US) 2007-03-15 US disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US disclosed
EP-1567505-A2 COMBINATION PRODUCTS WITH CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS AND OTHER THERAPEUTIC COMPOUNDS ENCYSIVE PHARMACEUTICALS INC. (US) 2005-08-31 EP disclosed
WO-2004044046-A2 COMBINATION PRODUCTS WITH CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS AND OTHER THERAPEUTIC COMPOUNDS ENCYSIVE PHARMACEUTICALS (US) 2004-05-27 WO disclosed
US-6723711-B2 VASCULAR CELL ADHESION MOLECULES AND FIBRONECTINS; ASTHMA, MULTIPLE SCLEROSIS, ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CONTACT HYPERSENSITIVITY, CARDIAC ALLOGRAFT REJECTION AND DIABETES TREATMENT TEXAS BIOTECHNOLOGY CORPORATION 2004-04-20 US disclosed
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US disclosed
US-20030199692-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2003-10-23 US disclosed
EP-1213288-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-06-12 EP disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 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 (6 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-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 HRH1 1586/4885SLC6A4 3347/4885SLC6A2 3064/4885
US-20200231563-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 GRM7, GRM1, GRM3 HRH1 412/4885SLC6A4 397/4885SLC6A2 626/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 HRH1 1388/4885SLC6A4 3438/4885SLC6A2 2963/4885
US-20070060608-A1 Combination products with carboxylic acid derivatives that inhibit the binding of integrins to their receptors and other therapeutic compounds VCAM1, ITGB1, ICAM1 HRH1 1543/4885SLC6A4 3828/4885SLC6A2 3960/4885
US-20220363664-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 GRM7, GRM1, GRM2 HRH1 415/4885SLC6A4 332/4885SLC6A2 500/4885
US-20030199692-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 HRH1 1689/4885SLC6A4 2933/4885SLC6A2 3393/4885

“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.