SCHEMBL5669156

SCHEMBL5669156

C=CC(N)CCCCCN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.41
TSHR P16473 2/20 0.41
NFKB1 P19838 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
CPB2 Q96IY4 5/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA3 P07451 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40

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
SCHEMBL28870655 1.00 BLM (0.41) BLMTSHRNFKB1SLC6A2SLC6A4
SCHEMBL8039415 0.97
SCHEMBL1503403 0.90
SCHEMBL13716727 0.80
SCHEMBL3921569 0.78
SCHEMBL5597865 0.78 OPRM1 (0.48) BLMTSHRNFKB1SLC6A2SLC6A4
SCHEMBL7653269 0.78 OPRM1 (0.48) BLMTSHRNFKB1SLC6A2SLC6A4
SCHEMBL544296 0.78 SLC6A2 (0.45) BLMTSHRNFKB1SLC6A2SLC6A4
SCHEMBL4373552 0.78 OPRM1 (0.48) BLMTSHRNFKB1SLC6A2SLC6A4
SCHEMBL11219189 0.78 OPRM1 (0.48) BLMTSHRNFKB1SLC6A2SLC6A4

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104334647-A Reactive dyes, their preparation and their use HUNTSMAN ADV MAT SWITZERLAND 2015-02-04 CN disclosed
CN-103270071-B Self-crosslinking polysiloxane-odified polyhydroxy polyurethane resin, resin material containing same, method for producing same, artificial leather comprising same, and thermoplastic polyolefin skin material comprising same DAINICHISEIKA COLOR CHEM 2014-11-26 CN disclosed
CN-102958978-B Self-crosslinkable polyhydroxy polyurethane resin, process for production of the resin, and resinaceous material that contains the resin DAINICHISEIKA COLOR CHEM 2014-11-19 CN disclosed
CN-103270071-A Self-crosslinking polysiloxane-odified polyhydroxy polyurethane resin, resin material containing same, method for producing same, artificial leather comprising same, and thermoplastic polyolefin skin material comprising same DAINICHISEIKA COLOR CHEM 2013-08-28 CN disclosed
CN-101541908-B Moisture-curing hot-melt adhesive compound containing polyaldimine SIKA TECHNOLOGY AG 2013-05-22 CN disclosed
CN-102958978-A Self-crosslinkable polyhydroxy polyurethane resin, resinaceous material that contains the resin, process for production of the resin, and imitation leather, surfacing material and weatherstrip material, using the resin DAINICHISEIKA COLOR CHEM 2013-03-06 CN disclosed
CN-100372532-C Imidazolin-2-ylaminophenyl amides as IP antagonists. HOFFMANN LA ROCHE (CH) 2008-03-05 CN disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
CN-1303125-C Aqueous polyurethane dispersion and method for making and using same AIR PROD & CHEM (US) 2007-03-07 CN disclosed
CN-1780617-A Imidazolin-2-ylaminophenyl amides as IP antagonists. HOFFMANN LA ROCHE (CH) 2006-05-31 CN disclosed
US-6998414-B2 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC (US) 2006-02-14 US disclosed
EP-1622611-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 EP disclosed
US-20060004075-A1 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC 2006-01-05 US disclosed
CN-1637035-A Aqueous polyurethane dispersion and method for making and using same AIR PROD & CHEM (US) 2005-07-13 CN disclosed
WO-2004096213-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 WO disclosed
US-20040220247-A1 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC 2004-11-04 US disclosed
US-4775419-A Metal amine complexes for improving the bond strength properties of asphalt MORTON THIOKOL, INC. (US) 1988-10-04 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 (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-20060004075-A1 Substituted aryl amides as IP antagonists INSR, INSRR, GIPR BLM 1870/4885TSHR 38/4885NFKB1 2491/4885
US-20040220247-A1 Substituted arylamides as IP antagonists INSR, PTGER1, INSRR BLM 2321/4885TSHR 144/4885NFKB1 3414/4885

“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.