SCHEMBL398742

SCHEMBL398742

NCCCNCCCCNCCCNC(=O)Cc1ccc(O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 4/20 0.64
CHRNG P07510 4/20 0.64
CHRNB1 P11230 4/20 0.64
CHRND Q07001 4/20 0.64
GRIA1 P42261 5/20 0.61
TRPV1 Q8NER1 1/20 0.58
GRIN1 Q05586 3/20 0.56
GRIN2A Q12879 3/20 0.56
CHRNB2 P17787 1/20 0.56
CHRNB4 P30926 1/20 0.56
CHRNA3 P32297 1/20 0.56
CHRNA4 P43681 1/20 0.56
GRM1 Q13255 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA3 P07451 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55

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
SCHEMBL647437 0.86 GRIA1 (0.62) CHRNA1CHRNGCHRNB1CHRNDGRIA1
SCHEMBL9447495 0.85 CHRNA1 (0.54) CHRNA1CHRNGCHRNB1CHRNDGRIA1
Hydrochloric Acid SCHEMBL2551823 0.85 GRIA1 (0.61) CHRNA1CHRNGCHRNB1CHRNDGRIA1
SCHEMBL9447534 0.85 TRPV1 (0.65) CHRNA1CHRNGCHRNB1CHRNDGRIA1
SCHEMBL18086637 0.84 TRPV1 (0.77) TRPV1
SCHEMBL9785795 0.84 TRPV1 (0.68) CHRNA1CHRNGCHRNB1CHRNDGRIA1
SCHEMBL7323616 0.83 CHRNA1 (0.67) CHRNA1CHRNGCHRNB1CHRNDGRIA1
SCHEMBL9447522 0.83 POLB (0.57) CHRNA1CHRNGCHRNB1CHRNDCA12
SCHEMBL14198712 0.82 TRPV1 (0.56) CHRNA1CHRNGCHRNB1CHRNDGRIA1
SCHEMBL9447601 0.82 TRPV1 (0.52) CHRNA1CHRNGCHRNB1CHRNDGRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150119327-A1 DRUG SCREENING PLATFORM FOR RETT SYNDROME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-04-30 US claimed
EP-2841067-A2 A DRUG SCREENING PLATFORM FOR RETT SYNDROME The Regents of The University of California (US) 2015-03-04 EP claimed
WO-2013163455-A2 A DRUG SCREENING PLATFORM FOR RETT SYNDROME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-31 WO claimed
US-5218000-A Nervous system disorders, antiischemic agents NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1993-06-08 US claimed
US-12121526-B2 Targeting NCCA-ATP channel for organ protection following ischemic episode THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2024-10-22 US disclosed
US-20230142111-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-11 US disclosed
US-20220193096-A1 INHIBITORS OF NCCA-ATP CHANNELS FOR THERAPY THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2022-06-23 US disclosed
US-20210113589-A1 TARGETING NCCA-ATP CHANNEL FOR ORGAN PROTECTION FOLLOWING ISCHEMIC EPISODE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2021-04-22 US disclosed
US-10898496-B2 Targeting NCCa-ATP channel for organ protection following ischemic episode UNIVERSITY OF MARYLAND, BALTIMORE (US) 2021-01-26 US disclosed
US-20190117672-A1 TARGETING NCCA-ATP CHANNEL FOR ORGAN PROTECTION FOLLOWING ISCHEMIC EPISODE UNIVERSITY OF MARYLAND, BALTIMORE 2019-04-25 US disclosed
US-20190111137-A1 METHODS FOR ANTAGONISTS OF A NON-SELECTIVE CATION CHANNEL IN NEURAL CELLS UNIVERSITY OF MARYLAND, BALTIMORE 2019-04-18 US disclosed
US-10166244-B2 Targeting NCCA-ATP channel for organ protection following ischemic episode UNIVERSITY OF MARYLAND, BALTIMORE (US) 2019-01-01 US disclosed
WO-2005042475-A2 CARBAMOYL ESTERS THAT INHIBIT CHOLINESTERASE AND RELEASE PHARMACOLOGICALLY ACTIVE AGENTS SENTION, INC. (US) 2005-05-12 WO disclosed
US-20050096387-A1 Carbamoyl esters that inhibit cholinesterase and release pharmacologically active agents SENTION, INC. (US) 2005-05-05 US disclosed
EP-0361687-B1 Therapeutic polyamine-amides BRITISH TECH GROUP (GB) 1993-10-27 EP disclosed
US-5218000-A Nervous system disorders, antiischemic agents NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1993-06-08 US disclosed
EP-0361687-A1 Therapeutic polyamine-amides BTG INTERNATIONAL LIMITED (GB) 1990-04-04 EP disclosed
EP-0360437-A1 Biocidal polylamine-amides BTG INTERNATIONAL LIMITED (GB) 1990-03-28 EP disclosed
WO-1990001875-A1 BIOCIDAL POLYAMINE-AMIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-03-08 WO disclosed
WO-1990002114-A1 THERAPEUTIC POLYAMINE-AMIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-03-08 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 (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-20230142111-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS GRIN2D, GRIN2A, GRIN2C CHRNA1 338/4885CHRNG 1078/4885CHRNB1 478/4885
US-20150119327-A1 DRUG SCREENING PLATFORM FOR RETT SYNDROME GRIN2A, GRIN1, GRIN2B CHRNA1 226/4885CHRNG 229/4885CHRNB1 216/4885
US-20050096387-A1 Carbamoyl esters that inhibit cholinesterase and release pharmacologically active agents ACHE, BCHE, CHAT CHRNA1 71/4885CHRNG 22/4885CHRNB1 84/4885

“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.