SCHEMBL12014397

SCHEMBL12014397

O=C1OCCC1CN1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.41
CHRM5 P08912 1/20 0.41
METAP1 P53582 2/20 0.41
CHRNA7 P36544 6/20 0.38
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
KCNH3 Q9ULD8 1/20 0.35

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
SCHEMBL65466 0.98 METAP1 (0.38) ADRA2CCHRM5METAP1CHRNA7ADRA2A
SCHEMBL12014396 0.85 ADRA2A (0.41) ADRA2CADRA2AADRA2BADRA1AKCNH3
SCHEMBL31708223 0.80 KCNH3 (0.32) KCNH3
SCHEMBL9818144 0.71 KCNH3 (0.38) KCNH3
SCHEMBL3686947 0.69 CEL (0.34) KCNH3
SCHEMBL23914078 0.68 CHRNA7 (0.39) ADRA2CCHRM5METAP1CHRNA7
SCHEMBL23914077 0.68 CHRNA7 (0.39) ADRA2CCHRM5METAP1CHRNA7
Pimeclone SCHEMBL545058 0.68 CHRM5 (0.47) ADRA2CCHRM5METAP1CHRNA7
SCHEMBL10907196 0.67
SCHEMBL1927524 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317099-A1 SAFER, POTENT, AND FAST ACTING ANTIMICROBIAL AGENTS PURDUE RESEARCH FOUNDATION (US) 2021-10-14 US disclosed
US-20170131632-A1 ACID DIFFUSION CONTROL AGENT, RADIATION-SENSITIVE RESIN COMPOSITION, RESIST PATTERN-FORMING METHOD, COMPOUND, AND PRODUCTION METHOD JSR CORPORATION (JP) 2017-05-11 US disclosed
US-20170131632-A1 ACID DIFFUSION CONTROL AGENT, RADIATION-SENSITIVE RESIN COMPOSITION, RESIST PATTERN-FORMING METHOD, COMPOUND, AND PRODUCTION METHOD JSR CORPORATION (JP) 2017-05-11 US disclosed
US-9588423-B2 Acid diffusion control agent, radiation-sensitive resin composition, resist pattern-forming method, compound, and production method JSR CORPORATION (JP) 2017-03-07 US disclosed
US-9588423-B2 Acid diffusion control agent, radiation-sensitive resin composition, resist pattern-forming method, compound, and production method JSR CORPORATION (JP) 2017-03-07 US disclosed
US-20150079520-A1 ACID DIFFUSION CONTROL AGENT, RADIATION-SENSITIVE RESIN COMPOSITION, RESIST PATTERN-FORMING METHOD, COMPOUND, AND PRODUCTION METHOD JSR CORPORATION (JP) 2015-03-19 US disclosed
US-20150079520-A1 ACID DIFFUSION CONTROL AGENT, RADIATION-SENSITIVE RESIN COMPOSITION, RESIST PATTERN-FORMING METHOD, COMPOUND, AND PRODUCTION METHOD JSR CORPORATION (JP) 2015-03-19 US disclosed
US-8728707-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-05-20 US disclosed
US-8728707-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-05-20 US disclosed
US-8568956-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-29 US disclosed
US-8568956-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-29 US disclosed
US-20130022909-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-24 US disclosed
US-20130022909-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-24 US disclosed
US-20120219899-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-30 US disclosed
US-20120219899-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-30 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 (3 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-20170131632-A1 ACID DIFFUSION CONTROL AGENT, RADIATION-SENSITIVE RESIN COMPOSITION, RESIST PATTERN-FORMING METHOD, COMPOUND, AND PRODUCTION METHOD RER1, RFC4, RFC2 ADRA2C 3550/4885CHRM5 3512/4885METAP1 4515/4885
US-20150079520-A1 ACID DIFFUSION CONTROL AGENT, RADIATION-SENSITIVE RESIN COMPOSITION, RESIST PATTERN-FORMING METHOD, COMPOUND, AND PRODUCTION METHOD RER1, RFC4, RFC2 ADRA2C 3550/4885CHRM5 3512/4885METAP1 4515/4885
US-20210317099-A1 SAFER, POTENT, AND FAST ACTING ANTIMICROBIAL AGENTS MIF, LTA, MGAM ADRA2C 3419/4885CHRM5 4403/4885METAP1 890/4885

“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.