SCHEMBL4918917

SCHEMBL4918917

Cc1ccc(CNCCNCCN)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.71
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
MC4R P32245 1/20 0.49
MC5R P33032 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2A6 P11509 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45

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
SCHEMBL4909529 1.00 CHRM2 (0.71) CHRM2CA12CA1CA2CA9
SCHEMBL4917375 1.00 CHRM2 (0.71) CHRM2CA12CA1CA2CA9
SCHEMBL4908750 0.96 CHRM2 (0.70) CHRM2CA12CA1CA2CA9
SCHEMBL4917450 0.89 CHRM2 (0.79) CHRM2CA12CA1CA2CA9
SCHEMBL5032223 0.89 CHRM2 (0.79) CHRM2CA12CA1CA2CA9
SCHEMBL4913672 0.89 CHRM2 (0.79) CHRM2CA12CA1CA2CA9
SCHEMBL11638 0.88 CHRM2 (0.71) CHRM2CA12CA1CA2CA9
SCHEMBL4919923 0.87 CHRM2 (0.75) CHRM2CA12CA1CA2CA9
SCHEMBL12414383 0.86 CHRM2 (0.75) CHRM2CA12CA1CA2CA9
SCHEMBL13521675 0.85 MC4R (0.61) CHRM2CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1914254-B1 Crosslinkers for improving stability of polyurethane foams EVONIK DEGUSSA GMBH (DE) 2017-08-23 EP disclosed
US-8552078-B2 Non-fugitive tertiary amine catalyst and alkylated polyamine crosslinking additives; aging resistance AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-10-08 US disclosed
CN-101168601-B Crosslinkers for improving stability of polyurethane foams AIR PROD & CHEM 2013-03-06 CN disclosed
US-8362199-B2 Borazine-based resin, process for its production, borazine-based resin composition, insulating film and method for its formation HITACHI CHEMICAL CO., LTD. (JP) 2013-01-29 US disclosed
US-8283436-B2 Process for synthesizing thiol terminated polymers COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2012-10-09 US disclosed
US-8252871-B2 Catalyst for oligomerization of ethylene, method for its preparation and oligomerization process using the catalyst SAUDI BASIC INDUSTRIES CORPORATION (SA) 2012-08-28 US disclosed
US-20110313122-A1 BORAZINE-BASED RESIN, PROCESS FOR ITS PRODUCTION, BORAZINE-BASED RESIN COMPOSITION, INSULATING FILM AND METHOD FOR ITS FORMATION MATSUTANI HIROSHI (JP) 2011-12-22 US disclosed
US-20110172370-A1 CATALYST FOR OLIGOMERIZATION OF ETHYLENE, METHOD FOR PREPARATION THEREOF AND PROCESS FOR OLIGOMERIZATION USING IT LINDE AG (DE) 2011-07-14 US disclosed
US-7625642-B2 Borazine-based resin, and method for production thereof, borazine based resin composition, insulating coating and method for formation thereof, and electronic parts having the insulating coating HITACHI CHEMICAL CO., LTD (JP) 2009-12-01 US disclosed
US-20090240017-A1 Borazine-based resin, process for its production, borazine-based resin composition, insulating film and method for its formation HITACHI CHEMICAL CO., LTD. (JP) 2009-09-24 US disclosed
CN-101168601-A Crosslinkers for improving stability of polyurethane foams AIR PROD & CHEM (US) 2008-04-30 CN disclosed
EP-1914254-A1 Crosslinkers for improving stability of polyurethane foams Air Products and Chemicals, Inc. (US) 2008-04-23 EP disclosed
US-20080090922-A1 Crosslinkers for improving stability of polyurethane foams EVONIK OPERATIONS GMBH (DE) 2008-04-17 US disclosed
US-20070232783-A1 Process for synthesizing thiol terminated polymers COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2007-10-04 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-20110313122-A1 BORAZINE-BASED RESIN, PROCESS FOR ITS PRODUCTION, BORAZINE-BASED RESIN COMPOSITION, INSULATING FILM AND METHOD FOR ITS FORMATION GRIK5, GJA1, SLC9A5 CHRM2 1337/4885CA12 467/4885CA1 115/4885
US-20110172370-A1 CATALYST FOR OLIGOMERIZATION OF ETHYLENE, METHOD FOR PREPARATION THEREOF AND PROCESS FOR OLIGOMERIZATION USING IT PNISR, AGER, EDNRA CHRM2 7/4885CA12 3376/4885CA1 3378/4885

“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.