SCHEMBL823100

SCHEMBL823100

CC(C)(C)CSC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL12744859 0.74 ALDH1A1 (0.37) HTR1ADRD2HTR2AHTR7TSHR
SCHEMBL16939998 0.72
SCHEMBL516158 0.72 HTR1A (0.33) HTR1ADRD2HTR2AHTR7
SCHEMBL7247165 0.72 HTR1A (0.33) HTR1ADRD2HTR2AHTR7
SCHEMBL15932247 0.72
SCHEMBL15907945 0.70 HTR1A (0.39) HTR1ADRD2HTR2AHTR7
Fluoride SCHEMBL775570 0.69 HTR1A (0.32) HTR1ADRD2HTR2AHTR7
SCHEMBL21190314 0.69 HTR1A (0.32) HTR1ADRD2HTR2AHTR7
SCHEMBL2517119 0.67 HTR1A (0.31) HTR1ADRD2HTR2AHTR7
SCHEMBL19733766 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240229026-A1 CHIRAL CONTROL WAVE LIFE SCIENCES LTD. (SG) 2024-07-11 US disclosed
US-11857603-B2 PTH compounds with low peak-to-trough ratios ASCENDIS PHARMA BONE DISEASES A/S (DK) 2024-01-02 US disclosed
US-20230381284-A1 Controlled-Release PTH Compound ASCENDIS PHARMA BONE DISEASES AS (DK) 2023-11-30 US disclosed
US-20230364199-A1 IMPROVEMENT OF PHYSICAL AND MENTAL WELL-BEING OF PATIENTS WITH HYPOPARATHYROIDISM ASCENDIS PHARMA BONE DISEASES A/S (DK) 2023-11-16 US disclosed
US-11793861-B2 PTH prodrugs ASCENDIS PHARMA BONE DISEASES A/S (DK) 2023-10-24 US disclosed
US-20230321198-A1 Dosage Regimen for a Controlled-Release PTH Compound ASCENDIS PHARMA BONE DISEASES AS (DK) 2023-10-12 US disclosed
US-20230295617-A1 METHODS AND COMPOSITIONS OF BIOLOGICALLY ACTIVE AGENTS WAVE LIFE SCIENCES LTD. (SG) 2023-09-21 US disclosed
US-11759504-B2 PTH compounds with low peak-to-trough ratios ASCENDIS PHARMA BONE DISEASES A/S (DK) 2023-09-19 US disclosed
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2023-08-08 US disclosed
US-20230201383-A1 PSMA TARGETING UREA-BASED LIGANDS FOR PROSTATE CANCER RADIOTHERAPY AND IMAGING RIGSHOSPITALET (DK) 2023-06-29 US disclosed
US-20120225089-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-09-06 US disclosed
US-20110269786-A1 TREATMENT OF MAJOR ADVERSE CARDIAC EVENTS AND ACUTE CORONARY SYNDROME IN DIABETIC PATIENTS USING SECRETORY PHOSPHOLIPASE A2 (SPLA2) INHIBITOR OR SPLA2 INHIBITOR COMBINATION THERAPIES ANTHERA PHARMACEUTICALS, INC. 2011-11-03 US disclosed
WO-2011137390-A1 TREATMENT OF MAJOR ADVERSE CARDIAC EVENTS AND ACUTE CORONARY SYNDROME IN DIABETIC PATIENTS USING SECRETORY PHOSPHOLIPASE A2 (SPLA2) INHIBITOR OR SPLA2 INHIBITOR COMBINATION THERAPIES ANTHERA PHARMACEUTICALS, INC. (US) 2011-11-03 WO disclosed
US-20100324313-A1 METHOD FOR THE PURIFICATION OF PROSTAGLANDINS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2010-12-23 US disclosed
WO-2010081022-A1 SECRETORY PHOSPHOLIPASE A2 (SPLA2) INHIBITOR AND NIACIN DRUG COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE AND DYSLIPIDEMIA ANTHERA PHARMACEUTICALS, INC. (US) 2010-07-15 WO disclosed
US-20090246211-A1 Molecular constructs suitable for targeted conjugates TAPESTRY PHARMACEUTICALS, INC. 2009-10-01 US disclosed
US-7494714-B2 Surfaces that resist the adsorption of biological species PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 2009-02-24 US disclosed
US-7414013-B2 Sulfurized polyisobutylene based wear and oxidation inhibitors CHEVRON ORONITE COMPANY LLC (US) 2008-08-19 US disclosed
US-20070264505-A1 Resistant to the adsorption of proteins, cells and bacteria; have a chemical chain bonded thereon that comprise a terminal group free of a hydrogen bond donor or where a hydrogen bond donor is sufficiently buried PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-11-15 US disclosed
US-7276286-B2 Surfaces that resist the adsorption of biological species PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 2007-10-02 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 (14 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-20230364199-A1 IMPROVEMENT OF PHYSICAL AND MENTAL WELL-BEING OF PATIENTS WITH HYPOPARATHYROIDISM PTH1R, CRH, PTMS HTR1A 561/4885DRD2 2044/4885HTR2A 243/4885
US-11793861-B2 PTH prodrugs PTH1R, PTMS, PHPT1 HTR1A 2638/4885DRD2 3679/4885HTR2A 2071/4885
US-20120225089-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF ERG28, CARS1, FOLH1 HTR1A 4483/4885DRD2 4160/4885HTR2A 4301/4885
US-20110269786-A1 TREATMENT OF MAJOR ADVERSE CARDIAC EVENTS AND ACUTE CORONARY SYNDROME IN DIABETIC PATIENTS USING SECRETORY PHOSPHOLIPASE A2 (SPLA2) INHIBITOR OR SPLA2 INHIBITOR COMBINATION THERAPIES PLAA, PLA2G12A, PLAAT2 HTR1A 3182/4885DRD2 4366/4885HTR2A 1434/4885
US-11759504-B2 PTH compounds with low peak-to-trough ratios PTH1R, PTMS, FGF23 HTR1A 1634/4885DRD2 3480/4885HTR2A 1737/4885
US-20230201383-A1 PSMA TARGETING UREA-BASED LIGANDS FOR PROSTATE CANCER RADIOTHERAPY AND IMAGING KLK3, FOLH1, PSMA7 HTR1A 4510/4885DRD2 3803/4885HTR2A 3767/4885
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SHH, GLI1, SMO HTR1A 3631/4885DRD2 4814/4885HTR2A 3835/4885
US-20230381284-A1 Controlled-Release PTH Compound PTH1R, CALCA, CALCB HTR1A 1515/4885DRD2 2825/4885HTR2A 1743/4885
US-20240229026-A1 CHIRAL CONTROL RNGTT, POLI, NSUN3 HTR1A 3573/4885DRD2 4080/4885HTR2A 3340/4885
US-20230295617-A1 METHODS AND COMPOSITIONS OF BIOLOGICALLY ACTIVE AGENTS ELOVL6, ELOVL5, ELOVL1 HTR1A 1723/4885DRD2 1935/4885HTR2A 1128/4885
US-11857603-B2 PTH compounds with low peak-to-trough ratios PTH1R, PTMS, FGF23 HTR1A 1634/4885DRD2 3480/4885HTR2A 1737/4885
US-20230321198-A1 Dosage Regimen for a Controlled-Release PTH Compound PTH1R, CALCB, AVPR2 HTR1A 2344/4885DRD2 2004/4885HTR2A 1195/4885
US-20090246211-A1 Molecular constructs suitable for targeted conjugates MRPL21, QSOX1, MLX HTR1A 3025/4885DRD2 3525/4885HTR2A 3975/4885
US-20100324313-A1 METHOD FOR THE PURIFICATION OF PROSTAGLANDINS PTGES, PTGES2, PTGS2 HTR1A 4171/4885DRD2 1888/4885HTR2A 3162/4885

“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.