SCHEMBL4916809

SCHEMBL4916809

COc1cccc(CNCCNCCN(CCN)Cc2cccc(OC)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.58
CALM1 P0DP23 1/20 0.50
CAMKK2 Q96RR4 1/20 0.50
BCHE P06276 3/20 0.47
SCN8A Q9UQD0 1/20 0.47
TAAR1 Q96RJ0 3/20 0.47
HTR2A P28223 2/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HTR2C P28335 1/20 0.45
THRB P10828 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
AOC3 Q16853 1/20 0.43

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
SCHEMBL4908817 1.00 CHRM2 (0.58) CHRM2CALM1CAMKK2BCHESCN8A
SCHEMBL4917387 0.97 CHRM2 (0.57) CHRM2CALM1CAMKK2BCHESCN8A
SCHEMBL4917408 0.84 TAAR1 (0.43) CHRM2TAAR1KDM4EALDH1A1CYP1A2
SCHEMBL4916817 0.84 TAAR1 (0.43) CHRM2TAAR1KDM4EALDH1A1CYP1A2
SCHEMBL4914669 0.83 CHRM2 (0.77) CHRM2BCHESCN8ATAAR1HTR2A
SCHEMBL4915334 0.83 CHRM2 (0.77) CHRM2BCHESCN8ATAAR1HTR2A
SCHEMBL4913847 0.83 CHRM2 (0.77) CHRM2BCHESCN8ATAAR1HTR2A
SCHEMBL27892765 0.83 CALM1 (0.64) CHRM2CALM1CAMKK2TAAR1AOC3
SCHEMBL4919382 0.82 CHRM2 (0.54) CHRM2BCHESCN8ATAAR1HTR2A
SCHEMBL4918556 0.82 CHRM2 (0.54) CHRM2BCHESCN8ATAAR1HTR2A

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-3390483-B1 ENCAPSULATION PROCTER & GAMBLE (US) 2022-05-18 EP disclosed
EP-3368207-B1 ENCAPSULATION ENCAPSYS LLC (US) 2021-12-01 EP disclosed
US-10864167-B2 Encapsulation THE PROCTER & GAMBLE COMPANY (US) 2020-12-15 US disclosed
EP-3390483-A1 ENCAPSULATION The Procter and Gamble Company (US) 2018-10-24 EP disclosed
EP-3368207-A1 ENCAPSULATION ENCAPSYS, LLC (US) 2018-09-05 EP disclosed
US-20180235893-A1 ENCAPSULATION THE PROCTER & GAMBLE COMPANY 2018-08-23 US disclosed
US-9937477-B2 Encapsulation WATERTITE PRODUCTS, INC. 2018-04-10 US disclosed
EP-1914254-B1 Crosslinkers for improving stability of polyurethane foams EVONIK DEGUSSA GMBH (DE) 2017-08-23 EP disclosed
WO-2017074995-A1 ENCAPSULATION ENCAPSYS, LLC (US) 2017-05-04 WO disclosed
WO-2017074997-A1 ENCAPSULATION ENCAPSYS, LLC (US) 2017-05-04 WO disclosed
US-20170113200-A1 Encapsulation Encapsys,LLC (US) 2017-04-27 US 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
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

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-20180235893-A1 ENCAPSULATION ACR, ACMSD, SAMM50 CHRM2 1120/4885CALM1 2879/4885CAMKK2 4767/4885
US-10864167-B2 Encapsulation ACR, MPHOSPH6, ACMSD CHRM2 993/4885CALM1 2817/4885CAMKK2 4784/4885

“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.