SCHEMBL3388002

SCHEMBL3388002

CCC(C)(N)N1CCNCC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.31
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31

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
SCHEMBL1306135 0.81 GNAI3 (0.31) GNAI3GNAO1GNAI1
SCHEMBL6627321 0.78 POLB (0.32) SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL8205709 0.78 SIGMAR1 (0.32) SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL8370582 0.77 SIGMAR1 (0.33) SIGMAR1
SCHEMBL467885 0.77 ADRB1 (0.31)
SCHEMBL9363442 0.77 ADRB1 (0.31)
SCHEMBL8078414 0.77 ADRB1 (0.31)
SCHEMBL1264415 0.76
SCHEMBL14736906 0.76
SCHEMBL13265256 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US claimed
CN-101175785-B Hydrocarbon or hydrofluorocarbon blown ASTM E-84 class I rigid polyurethane foams BAYER MATERIALSCIENCE LLC 2011-02-09 CN claimed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US claimed
CN-101522661-A Compounds and compositions as protein kinase inhibitors IRM LLC (VG) 2009-09-02 CN claimed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP claimed
CN-101316875-A Water-blown, flame retardant rigid polyurethane foam BAYER MATERIALSCIENCE LLC (US) 2008-12-03 CN claimed
CN-101175785-A Hydrocarbon or hydrofluorocarbon blown ASTM E-84 class i rigid polyurethane foams BAYER MATERIALSCIENCE LLC (US) 2008-05-07 CN claimed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO claimed
CN-1179994-C Low density water sparkling polyurethane sparkling material for energy absorption 2004-12-15 CN claimed
CN-1333302-A Low density water sparkling polyurethane sparkling material for energy absorption BAYER AG (US) 2002-01-30 CN claimed
CN-103131185-B A kind of cured liquid sealant composition and its preparation method and application on demand 密封剂欧洲有限公司 2018-09-28 CN disclosed
CN-101687775-B Aldimines and compositions comprising aldamine SIKA TECHNOLOGY AG 2015-05-06 CN disclosed
CN-104066763-A Low density polyurethane shoe sole or sole portion with high resilience and low compression set BASF SE 2014-09-24 CN disclosed
CN-101765583-B Aldimines comprising hydroxyl groups, and compositions containing aldimine SIKA TECHNOLOGY AG 2014-06-04 CN disclosed
CN-101883753-B Aromatic aldimines and polyurethane compositions which contain aldimine SIKA TECHNOLOGY AG 2014-06-04 CN disclosed
EP-1375629-A2 A method of improving the compatibility of a fuel additive composition containing a Mannich condensation product Chevron Oronite Company LLC (US) 2004-01-02 EP disclosed
US-20040000089-A1 Method of improving the compatibility of a fuel additive composition containing a mannich condensation product CHEVRON ORONITE COMPANY LLC 2004-01-01 US disclosed
US-20030172582-A1 Fuel additive compositions containing a mannich condensation product, a poly (oxyalkylene) monool, and a carboxylic acid CHEVRON ORONITE COMPANY LLC 2003-09-18 US disclosed
EP-1323814-A2 Fuel additive compositions containing a Mannich condensation product, a poly(oxyalkylene) monool, and a carboxylic acid Chevron Oronite Company LLC (US) 2003-07-02 EP disclosed
CN-1333302-A Low density water sparkling polyurethane sparkling material for energy absorption BAYER AG (US) 2002-01-30 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 (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-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS FYN, ABL2, LCK SIGMAR1 4527/4885GNAI3 1142/4885GNAO1 2765/4885

“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.