SCHEMBL9640544

SCHEMBL9640544

CC(C)CN(CCCN)CCCN

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37
CHRM2 P08172 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
BCHE P06276 1/20 0.30
PIK3CD O00329 1/20 0.30
NFKB1 P19838 1/20 0.30

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
SCHEMBL15556814 0.95 CHRM2 (0.42) CYP1A2MAPK1CHRM2TDP1CA12
SCHEMBL9460351 0.95 CHRM2 (0.42) CYP1A2MAPK1CHRM2TDP1CA12
SCHEMBL3459171 0.95 CYP1A2 (0.37) CYP1A2MAPK1CHRM2TDP1CYP2C9
SCHEMBL23742395 0.93 CYP1A2 (0.33) CYP1A2MAPK1CHRM2TDP1
SCHEMBL11212686 0.89 MAPT (0.33) CYP1A2MAPK1TDP1CA12CA1
SCHEMBL16925628 0.89 DNM1 (0.42) CHRM2
SCHEMBL3462018 0.87 CHRM2 (0.44) CYP1A2MAPK1CHRM2TDP1CA12
SCHEMBL3796629 0.85 CHRM2 (0.48) CYP1A2MAPK1CHRM2CA12CA1
SCHEMBL22482652 0.85 LCK (0.40) CYP1A2MAPK1CHRM2CYP2C9CYP2C19
SCHEMBL1492443 0.85 CHRM2 (0.48) CYP1A2MAPK1CHRM2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3713983-B1 POLYURETHANE-BASED COMPOSITION BOSTIK SA (FR) 2021-05-19 EP disclosed
EP-3484973-B1 ADHESIVE DUAL-COMPONENT COMPOSITION BASED ON POLYURETHANE BOSTIK SA (FR) 2020-12-23 EP disclosed
US-9439433-B2 Compositions and methods comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2016-09-13 US disclosed
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH 2015-02-05 US disclosed
US-5128408-A Quaternized amino polyurethane- or polyurethaneurea-polysiloxanes treated with heparin TOYO BOSEKI KABUSHIKI KAISHA (JP) 1992-07-07 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 (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-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS CYP1A2 4330/4885MAPK1 3755/4885CHRM2 3947/4885

“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.