SCHEMBL3626820

SCHEMBL3626820

CCCC(C)N=C=NN(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.33
TRPV1 Q8NER1 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
Hydrochloric Acid SCHEMBL7420163 0.98 TRPA1 (0.32) TRPA1TRPV1
SCHEMBL5087265 0.86 TRPA1 (0.46) TRPA1TRPV1
SCHEMBL18244940 0.81 TRPA1 (0.42) TRPA1TRPV1
SCHEMBL23341678 0.75 TRPA1 (0.37) TRPA1TRPV1
SCHEMBL26926041 0.73
SCHEMBL28210729 0.73 TRPA1 (0.36) TRPA1TRPV1
SCHEMBL7977062 0.72
SCHEMBL26125212 0.71 TRPA1 (0.39) TRPA1TRPV1
Hydrochloric Acid SCHEMBL28210727 0.71 TRPA1 (0.34) TRPA1TRPV1
SCHEMBL26122465 0.71 TRPA1 (0.39) TRPA1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734567-B1 METHOD FOR ACTIVATING DOUBLE METAL CYANIDE CATALYSTS FOR THE PRODUCTION OF POLYETHER CARBONATE POLYOLS BAYER IP GMBH (DE) 2015-09-09 EP claimed
CN-1281615-C Novel 3.6-hemiketals from the class of 9a-azalides PLIVA FARMACEUTSKA CO (HR) 2006-10-25 CN claimed
CN-1301268-A 15-membered lactam ketolides with antibacterial activity PLIVA PHARM & CHEM WORKS (HR) 2001-06-27 CN claimed
CN-1280585-A Novel 3.6-hemiketals from the class of 9a-azalides PLIVA FARMACEUTSKA CO (HR) 2001-01-17 CN claimed
US-7659307-B2 Nonphytotoxic; 4-Bromo-3-methoxy-N-4-[4(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide; 4-[(Allyloxycarbonyl)amino]-3-methoxy-N-4-[4-(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide BAYER CROPSCIENCE S.A. (FR) 2010-02-09 US disclosed
US-20070276472-A1 Vascular Stent MEDTRONIC, INC. 2007-11-29 US disclosed
US-20060205732-A1 Heterocyclic carboxamides and their use as fungicides BAYER SAS (FR) 2006-09-14 US disclosed
US-7084163-B2 Heterocyclic carboxamides and their use as fungicides BAYER CROPSCIENCE S.A. (FR) 2006-08-01 US disclosed
US-6991852-B2 A silica-based material that includes a silica-based substrate and a polymerized organic material disposed thereon. The polymerized organic material is made from reactive organic moieties bonded to the silica-based substrate. REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2006-01-31 US disclosed
EP-1610838-A1 VASCULAR STENT Bayco Tech Limited (GB) 2006-01-04 EP disclosed
WO-2004087234-A1 VASCULAR STENT BAYCO TECH LIMITED (GB) 2004-10-14 WO disclosed
US-20040152698-A1 Heterocyclic carboxamides and their use as fungicides BAYER SAS (FR) 2004-08-05 US disclosed
US-20030219597-A1 Silica-based materials and methods REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2003-11-27 US disclosed
WO-2003078159-A1 SILICA-BASED MATERIALS AND METHODS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2003-09-25 WO disclosed
CN-1113059-C Piperazino derivatives as neurokinin antagonists SCHERING CORP (US) 2003-07-02 CN disclosed
CN-1111529-C Piperazino-derivatives as neurokinin SCHERING CORP (US) 2003-06-18 CN disclosed
WO-2003006454-A2 HETEROCYCLIC CARBOXAMIDES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE S.A. (FR) 2003-01-23 WO disclosed
CN-1301268-A 15-membered lactam ketolides with antibacterial activity PLIVA PHARM & CHEM WORKS (HR) 2001-06-27 CN disclosed
CN-1234026-A Piperazino derivatives as neurokinin antagonists SCHERING CORP (US) 1999-11-03 CN disclosed
CN-1200120-A Piperazino derivatives as neurokinin antagonists SCHERING CORP (US) 1998-11-25 CN 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 (2 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-20040152698-A1 Heterocyclic carboxamides and their use as fungicides CYP1A2, CYP4X1, CYCS TRPA1 1991/4885TRPV1 2186/4885
US-20060205732-A1 Heterocyclic carboxamides and their use as fungicides CYP4X1, CYP1A2, CYCS TRPA1 1407/4885TRPV1 1897/4885

“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.