SCHEMBL2770883

SCHEMBL2770883

CC1(c2cccs2)CNCCO1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.35
SLC6A3 Q01959 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A2 P23975 1/20 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
SCHEMBL8662680 0.81 SLC6A2 (0.33) ICMTSLC6A3OPRM1OPRL1LMNA
SCHEMBL31284832 0.75 SLC6A2 (0.36) ICMTSLC6A3SLC6A4SLC6A2
SCHEMBL28983665 0.74 ICMT (0.46) ICMTSLC6A3OPRM1OPRL1LMNA
SCHEMBL31283750 0.74 ALDH1A1 (0.33)
Propane SCHEMBL2857929 0.74 HCAR3 (0.32) HCAR2
SCHEMBL29144609 0.74 LMNA (0.36) LMNAHCAR2
SCHEMBL1334863 0.74 HTR2A (0.44) SLC6A3OPRM1TSHRSLC6A4SLC6A2
SCHEMBL9738374 0.74 SLC6A3 (0.44) ICMTSLC6A3OPRM1OPRL1LMNA
Bromide SCHEMBL5224748 0.72 HTR2A (0.43) SLC6A3OPRM1TSHRSLC6A4SLC6A2
SCHEMBL754463 0.72 SLC6A3 (0.41) ICMTSLC6A3OPRM1OPRL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871831-B2 Modification of surfaces with polymers University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2014-10-28 US claimed
US-20140058032-A1 MODIFICATION OF SURFACES WITH POLYMERS CARNEGIE MELLON UNIVERSITY 2014-02-27 US claimed
US-20130131278-A1 MODIFICATION OF SURFACES WITH POLYMERS NATIONAL SCIENCE FOUNDATION 2013-05-23 US claimed
US-20130058910-A1 DECONTAMINATION OF CHEMICAL AND BIOLOGICAL AGENTS PITTSBURGH, UNIVERSITY OF - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2013-03-07 US claimed
US-20080139689-A1 Controlled free radical polymerization, crosslinking, Norrish reaction; segments can be hydrophilicity, hydrophobicity, biocompatibility, bioactivity, adhesion, adsorption; corrosion, abrasion and, heat resistance; dielectrics; poly(3-(trimethoxysilyl)propyl methacrylate) segment; quaternized groups NATIONAL SCIENCE FOUNDATION 2008-06-12 US claimed
WO-2008021500-A2 MODIFICATION OF SURFACES WITH POLYMERS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-02-21 WO claimed
US-20190010268-A1 PHOTOACTIVATABLE FOULING-RESISTANT COPOLYMERS ARROW INTERNATIONAL, INC. (US) 2019-01-10 US disclosed
EP-3334767-A1 PHOTOACTIVATABLE FOULING-RESISTANT COPOLYMERS Arrow International, Inc. (US) 2018-06-20 EP disclosed
WO-2017030950-A1 PHOTOACTIVATABLE FOULING-RESISTANT COPOLYMERS ARROW INTERNATIONAL, INC. (US) 2017-02-23 WO disclosed
US-20160230049-A1 REVERSIBLE PRESSURE-SENSITIVE ADHESIVE MASS TESA SE (DE) 2016-08-11 US disclosed
US-8871831-B2 Modification of surfaces with polymers University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2014-10-28 US disclosed
US-20140058032-A1 MODIFICATION OF SURFACES WITH POLYMERS CARNEGIE MELLON UNIVERSITY 2014-02-27 US disclosed
US-8519076-B2 Method for producing solvent-free UV-crosslinkable acrylate pressure-sensitive adhesives TESA SE (DE) 2013-08-27 US disclosed
US-20070087192-A1 Process for producing anisotropic PSAs TESA AKTIENGESELLSCHAFT (DE) 2007-04-19 US disclosed
US-20060251892-A1 Anti-static self-adhesive strip TESA SE (DE) 2006-11-09 US disclosed
US-20060154098-A1 Self-adhesive article TESA AG (DE) 2006-07-13 US disclosed
US-20060057366-A1 Poly(meth) acrylate-based pressure-sensitive adhesive TESA SE (DE) 2006-03-16 US disclosed
US-20060052472-A1 Pressure-sensitive adhesive with dual crosslinking mechanism TESA AKTIENGESELLSCHAFT (DE) 2006-03-09 US disclosed
EP-1530616-A1 METHOD FOR THE PRODUCTION OF ACRYLATE ADHESIVE MATERIALS USING METAL-SULPHUR COMPOUNDS Tesa AG (DE) 2005-05-18 EP disclosed
WO-2004018582-A1 METHOD FOR THE PRODUCTION OF ACRYLATE ADHESIVE MATERIALS USING METAL-SULPHUR COMPOUNDS TESA AG (DE) 2004-03-04 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-20130058910-A1 DECONTAMINATION OF CHEMICAL AND BIOLOGICAL AGENTS DDT, LPO, DDO ICMT 1880/4885SLC6A3 249/4885OPRM1 3173/4885

“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.