SCHEMBL256338

SCHEMBL256338

CN1CCc2ncccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.38
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
SLC6A4 P31645 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
OPRK1 P41145 1/20 0.34
HTR2B P41595 1/20 0.34
KCNH2 Q12809 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL8276417 0.89 TNKS (0.37) KCNH2GAA
SCHEMBL12905337 0.81 SMN1; SMN2 (0.34) HTR2AHTR2CSLC6A4CHRM2HTR1A
SCHEMBL21733182 0.76 HTR2A (0.34) GRM5HTR2AHTR2CSLC6A4TSHR
SCHEMBL27305311 0.76 GAA (0.37) HTR2AHTR2CSLC6A4HTR1ATSHR
SCHEMBL24729069 0.76 HTR2C (0.32) HTR2AHTR2CSLC6A4HTR1ADRD2
SCHEMBL6124130 0.76 GRM5 (0.42) GRM5HTR2AHTR2CCHRM2HTR1A
SCHEMBL13082704 0.76 GRIA2 (0.44) GRM5DRD2KCNH2NPC1TP53
SCHEMBL14279926 0.76 KCNQ2 (0.36) HTR2AHTR2CSLC6A4TSHRGAA
SCHEMBL24342186 0.75 GAA (0.47) DRD2TP53GAA
SCHEMBL30684899 0.74 GRM5 (0.57) GRM5HTR2AHTR1ADRD2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912708-B2 Macrocyclic heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2024-02-27 US disclosed
US-11912708-B2 Macrocyclic heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2024-02-27 US disclosed
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-11-16 US disclosed
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-11-16 US disclosed
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-26 US disclosed
WO-2023205701-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-10-26 WO disclosed
US-20230339882-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-10-26 US disclosed
US-20230339882-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-10-26 US disclosed
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 EP disclosed
WO-2023141511-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2023-07-27 WO disclosed
EP-2210881-A1 Derivatives of syringolin A Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2010-07-28 EP disclosed
WO-2010081731-A2 DERIVATIVES OF SYRINGOLIN A Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V (DE) 2010-07-22 WO disclosed
US-7598236-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2009-10-06 US disclosed
WO-2009068322-A1 SELECTIVE INHIBITION OF POLO-LIKE KINASE 1 MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENS CHAFTEN E.V. (DE) 2009-06-04 WO disclosed
EP-2065039-A1 Selective inhibition of Polo-like kinase 1 Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2009-06-03 EP disclosed
WO-2008055488-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2008-05-15 WO disclosed
WO-2008052804-A1 THIAZOLHYDRAZIDES FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2008-05-08 WO disclosed
EP-1918286-A1 Thiazolhydrazides for treatment of neurodegenerative diseases MPG Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2008-05-07 EP disclosed
US-20080097094-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2008-04-24 US disclosed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 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 (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-20080097094-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 GRM5 84/4885HTR2A 1259/4885HTR2C 940/4885
US-11912708-B2 Macrocyclic heterocycles and uses thereof HRAS, KRAS, TP53 GRM5 4237/4885HTR2A 4338/4885HTR2C 2298/4885
US-20070021442-A1 HIV reverse transcriptase inhibitors POLRMT, RNGTT, POLR2E GRM5 3832/4885HTR2A 4344/4885HTR2C 4776/4885
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 GRM5 3201/4885HTR2A 2320/4885HTR2C 2099/4885
US-20230339882-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF PTPRF, PTPRCAP, PTPRJ GRM5 2294/4885HTR2A 4053/4885HTR2C 4197/4885
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF HRAS, KRAS, TP53 GRM5 4237/4885HTR2A 4338/4885HTR2C 2298/4885

“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.