SCHEMBL2323792

SCHEMBL2323792

C1CCCC(CC2CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.41
CYP1A2 P05177 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
SIGMAR1 Q99720 2/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
ACHE P22303 1/20 0.35
EPHX1 P07099 2/20 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
SCHEMBL9929330 1.00 CHRM5 (0.41) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL28917054 1.00 CHRM5 (0.41) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL1524895 1.00 CHRM5 (0.41) CHRM5CYP1A2ADRA2CCHRM2CHRM4
Ammonia Solution, Strong SCHEMBL9555998 0.96 NOS1 (0.39) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL23070439 0.96 CHRM5 (0.43) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL187659 0.96 CHRM5 (0.43) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL11006113 0.96 CHRM5 (0.43) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL2708909 0.96
SCHEMBL3224864 0.96 CHRM5 (0.43) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL3222970 0.96 CHRM5 (0.43) CHRM5CYP1A2ADRA2CCHRM2CHRM4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5574037-A MODULATED BY SINO-ATRIAL NODE, ANTIISCHEMIC AGENT IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-11-12 US claimed
EP-0431856-B1 Heterocyclic compounds ZENECA LTD (GB) 1995-07-12 EP claimed
US-5332737-A Cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-07-26 US claimed
EP-0431856-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1991-06-12 EP claimed
WO-2014128206-A1 COMPOUNDS FOR USE IN INHIBITING HIV CAPSID ASSEMBLY Ruprecht-Karls-Universität Heidelberg (DE) 2014-08-28 WO disclosed
WO-2014128213-A1 COMPOUNDS FOR USE IN INHIBITING HIV CAPSID ASSEMBLY Ruprecht-Karls-Universität Heidelberg (DE) 2014-08-28 WO disclosed
EP-2769723-A1 Compounds for use in inhibiting HIV capsid assembly Ruprecht-Karls-Universität Heidelberg (DE) 2014-08-27 EP disclosed
EP-2769722-A1 Compounds for use in inhibiting HIV capsid assembly Ruprecht-Karls-Universität Heidelberg (DE) 2014-08-27 EP disclosed
US-20130085133-A1 ANTI-VIRAL TREATMENT AND ASSAY TO SCREENFOR ANTI-VIRAL AGENT Sourthern Research Institute Office of Commercialization and Intellectual Prop. (US) 2013-04-04 US disclosed
WO-2011097607-A1 ANTI-VIRAL TREATMENT AND ASSAY TO SCREEN FOR ANTI-VIRAL AGENT SOUTHERN RESEARCH INSTITUTE (US) 2011-08-11 WO 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 (1 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-20130085133-A1 ANTI-VIRAL TREATMENT AND ASSAY TO SCREENFOR ANTI-VIRAL AGENT MAVS, SNRPE, LONP1 CHRM5 4242/4885CYP1A2 4452/4885ADRA2C 4791/4885

“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.