SCHEMBL154243

SCHEMBL154243

CCc1cccc2c1CC[CH]2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.40
GABRB2 P47870 4/20 0.40
HTR2A P28223 3/20 0.31
HTR2C P28335 3/20 0.31
HTR1A P08908 2/20 0.31
DRD2 P14416 2/20 0.31
DRD4 P21917 2/20 0.31
DRD3 P35462 2/20 0.31
MAOA P21397 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
HTR2B P41595 1/20 0.31
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
ALOX5 P09917 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL9159294 0.85 HTR2B (0.37) HTR2AHTR2CHTR1ADRD2DRD4
SCHEMBL19314096 0.81 GABRA1 (0.38) GABRA1GABRB2HTR2AHTR2CHTR1A
SCHEMBL9502970 0.76 GABRA1 (0.42) GABRA1GABRB2HTR1AKDM4EALDH1A1
SCHEMBL4436510 0.72 PARP1 (0.36) ALDH1A1CYP1A2TSHR
SCHEMBL12961126 0.72 GABRA1 (0.36) GABRA1GABRB2HTR2AHTR2CTAAR1
SCHEMBL5300479 0.72 GABRA1 (0.36) GABRA1GABRB2HTR2AHTR2CHTR1A
SCHEMBL7473196 0.71 HTR2C (0.43) HTR2AHTR2CHTR1AHTR2BKDM4E
SCHEMBL3533548 0.70 LMNA (0.49) CYP1A2
SCHEMBL192953 0.68 CD44 (0.38) HTR2AKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL17288962 0.68 PARP10 (0.36)

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 1368 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002517459-A 2002-06-18 JP claimed
EP-1019360-A1 $g(b)2-ADRENERGIC RECEPTOR AGONISTS Advanced Medicine, Inc. (US) 2000-07-19 EP claimed
EP-1019360-A4 $g(b)2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE INC (US) 2000-07-19 EP claimed
WO-1999064034-A1 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO claimed
CN-118354770-A Flavonoid derivatives having GABAA receptor activity and methods of use 罗特格斯新泽西州立大学 2024-07-16 CN disclosed
CN-118317943-A Synthesis method of chiral 3, 5-disubstituted morpholine compound and useful intermediate thereof 百济神州有限公司 2024-07-09 CN disclosed
WO-2024140935-A1 B7H3 ANTIBODY DRUG CONJUGATES BEIGENE, LTD. (KY) 2024-07-04 WO disclosed
WO-2024140678-A1 A KETAL PROTECTED INTERMEDIATE FOR SONROTOCLAX AND PREPARATION METHOD THEREOF BEIGENE (SUZHOU) CO., LTD. (CN) 2024-07-04 WO disclosed
WO-2024140690-A1 INTERMEDIATES OF SONROTOCLAX AND THE METHOD OF PREPARING THE SAME BEIGENE (SUZHOU) CO., LTD. (CN) 2024-07-04 WO disclosed
WO-2024145273-A2 N-MYRISTOYLTRANSFERASE INHIBITORS AND METHODS OF USE SEATTLE CHILDREN'S HOSPITAL (D/B/A SEATTLE CHILDREN'S RESEARCH INSTITUTE) (US) 2024-07-04 WO disclosed
EP-4392168-A1 IONIC LIQUID-BASED COMPOSITE MEMBRANES USING FUNCTIONAL CROSS-LINKERS The Regents of the University of Colorado, a body corporate (US) 2024-07-03 EP disclosed
EP-4392430-A1 MOLECULAR DEGRADERS OF EXTRACELLULAR PROTEINS Yale University (US) 2024-07-03 EP disclosed
US-20060276410-A1 COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV Forest Laboratories Holding Limited (BM) 2006-12-07 US disclosed
US-20060258621-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV SINO-MED INTERNATIONAL ALLIANCE, INC. 2006-11-16 US disclosed
US-20060252851-A1 Urethanes, ureas or esters of thiocarbamic acid, for use with fillers in the preparation of polymer composites and nanocomposites; compatibility between the filler and hydrophobic polymers such as polyolefins THE UNIVERSITY OF CHICAGO 2006-11-09 US disclosed
US-20060205728-A1 Novel scaffolds for beta-helix mimicry THE SCRIPPS RESEARCH INSTITUTE (US) 2006-09-14 US disclosed
WO-2006091737-A1 MODULATORS OF GSK-3 ACTIVITY KEMIA, INC. (US) 2006-08-31 WO disclosed
WO-2006091862-A2 CYTOKINE INHIBITORS AND THEIR USE IN THERAPY KEMIA, INC. (US) 2006-08-31 WO disclosed
WO-2006017292-A1 CONSTRAINED CYANO COMPOUNDS PHENOMIX CORPORATION (US) 2006-02-16 WO disclosed
US-20060009518-A1 Constrained cyano compounds Forest Laboratories Holding Limited (BM) 2006-01-12 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 (4 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-20060276410-A1 COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV DPP4, DPP3, DPP7 GABRA1 3417/4885GABRB2 2289/4885HTR2A 3733/4885
US-20060009518-A1 Constrained cyano compounds DNPEP, PREP, PEPD GABRA1 2798/4885GABRB2 1407/4885HTR2A 3156/4885
US-20060205728-A1 Novel scaffolds for beta-helix mimicry HRH1, HEATR1, HSPH1 GABRA1 506/4885GABRB2 169/4885HTR2A 269/4885
US-20060258621-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV DPP4, DPP7, DPP3 GABRA1 1231/4885GABRB2 956/4885HTR2A 3942/4885

“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.