SCHEMBL1428541

SCHEMBL1428541

c1csc(C2CCCCN2C2CCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MAPT P10636 1/20 0.38

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
SCHEMBL17001873 0.83 LMNA (0.46) LMNAALDH1A1TSHRPOLBGAA
Hydrochloric Acid SCHEMBL20292109 0.82 LMNA (0.45) LMNAALDH1A1TSHRPOLBGAA
Glutamic Acid SCHEMBL6471927 0.80 ALDH1A1 (0.41) LMNAALDH1A1POLBL3MBTL1SMN1; SMN2
SCHEMBL14266758 0.79 LMNA (0.47) LMNAALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL14256491 0.75 LMNA (0.44) LMNAALDH1A1TSHRPOLBGAA
SCHEMBL11362948 0.74 LMNA (0.46) LMNAALDH1A1TSHRPOLBGAA
SCHEMBL8205127 0.74 CHRNB2 (0.41) LMNAALDH1A1TSHRPOLBGAA
SCHEMBL1989282 0.73 SLC18A3 (0.51) ALDH1A1HRH3
SCHEMBL18751629 0.73 SLC18A3 (0.51) ALDH1A1HRH3
SCHEMBL15539562 0.72 SLC6A4 (0.48) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100316678-A1 COMBINATION METHODS AND COMPOSITIONS FOR TREATMENT OF NEUROPATHIC PAIN CNSBIO PTY LTD. (AU) 2010-12-16 US claimed
EP-2175886-A1 COMBINATION METHODS AND COMPOSITIONS FOR TREATMENT OF NEUROPATHIC PAIN CNSBio Pty Ltd (AU) 2010-04-21 EP claimed
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-03-25 US claimed
CN-101563106-A Combination of nmda- receptor ligand and a compound with 5-HT6 receptor affinity ESTEVE LABOR DR (ES) 2009-10-21 CN claimed
EP-2081600-A1 COMBINATION OF NMDA- RECEPTOR LIGAND AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-07-29 EP claimed
WO-2009000038-A1 COMBINATION METHODS AND COMPOSITIONS FOR TREATMENT OF NEUROPATHIC PAIN CNSBIO PTY LTD (AU) 2008-12-31 WO claimed
WO-2008034815-A1 COMBINATION OF NMDA- RECEPTOR LIGAND AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-03-27 WO claimed
EP-1902733-A1 Combination of a NMDA-receptor ligand and a compound with 5-HT6 receptor affinity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-03-26 EP claimed
EP-1438020-A2 TOPICAL COMPOSITIONS AND METHODS FOR TREATING PAIN EpiCept Corporation (US) 2004-07-21 EP claimed
US-20040076648-A1 Topical compositions and methods for treating pain EPICEPT CORPORATION 2004-04-22 US claimed
US-20030082214-A1 Topical compositions and methods for treating pain DISCOVER GROWTH FUND, LLC (VI) 2003-05-01 US claimed
WO-2003015699-A2 TOPICAL COMPOSITIONS AND METHODS FOR TREATING PAIN EPICEPT CORPORATION (US) 2003-02-27 WO claimed
US-10456444-B2 Pirin polypeptide and immune modulation 4D PHARMA RESEARCH LIMITED (GB) 2019-10-29 US disclosed
US-20170326202-A1 PIRIN POLYPEPTIDE AND IMMUNE MODULATION CJ BIOSCIENCE, INC. (KR) 2017-11-16 US disclosed
US-9579299-B2 CNS pharmaceutical compositions and methods of use TARGIA PHARMACEUTICALS (IL) 2017-02-28 US disclosed
WO-2016027259-A1 CNS PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE TARGIA PHARMACEUTICALS (IL) 2016-02-25 WO disclosed
EP-0461986-A1 Derivatives of hexahydroazepines, procedure for their preparation and pharmaceutical compositions containing same SANOFI (FR) 1991-12-18 EP disclosed
US-5011834-A Treating or preventing neuronal loss in ischemia, hypoxia, brain and spinal cord trauma, Alzheimer*s STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1991-04-30 US disclosed
US-4994446-A Drug system RAMOT - UNIVERSITY AUTHORITY FOR APPLIED RESEARCH AND INDUSTRIAL DEVELOPMENT LTD. (IL) 1991-02-19 US disclosed
WO-1990012575-A1 PCP RECEPTOR LIGANDS AND THE USE THEREOF STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1990-11-01 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-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity GRM6, GRIN3B, GRIN3A LMNA 4650/4885ALDH1A1 3257/4885TSHR 537/4885

“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.