SCHEMBL4468978

SCHEMBL4468978

CCC(C)CC(C)(C)CN

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL4167824 0.83 CYP2D6 (0.50) CYP2D6KDM4E
SCHEMBL25082500 0.83 CYP2D6 (0.35) CYP2D6
SCHEMBL10313055 0.80 CYP2D6 (0.41) CYP2D6
SCHEMBL14450798 0.80
SCHEMBL7722438 0.79 CYP2D6 (0.45) CYP2D6KDM4E
SCHEMBL12314824 0.79 CYP2D6 (0.45) CYP2D6KDM4E
SCHEMBL8395185 0.78
SCHEMBL598372 0.78 TSHR (0.32)
SCHEMBL22488 0.77 CYP2D6 (0.43) CYP2D6KDM4E
SCHEMBL21236172 0.77 CYP2D6 (0.30) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140163165-A1 LOW MOLECULAR WEIGHT PRODUCTS AND USE THEREOF AS REVERSIBLE OR PERMANENT LOW-TEMPERATURE CROSSLINKING AGENT IN DIELS-ALDER REACTIONS EVONIK DEGUSSA GMBH (DE) 2014-06-12 US claimed
US-7557242-B2 Multistage continuous preparation of cycloaliphatic disocyanates DEGUSSA AG (DE) 2009-07-07 US claimed
US-20050250960-A1 Phosgene-free; reacting a cycloaliphatic diamine with a carbonic acid derivative and an alcohol to produce a cycloaliphatic diurethane, distillation, thermally cleaving the cycloaliphatic diurethane to produce a cycloaliphatic diisocyanate, recycling reurethanization product directly into the low-boiler DEGUSSA AG (DE) 2005-11-10 US claimed
WO-2020210117-A1 STEROIDS WITH ALTERED PHARMACOKINETIC PROPERTIES AND METHODS OF USE THEREOF ATHENEN THERAPEUTICS, INC. (US) 2020-10-15 WO disclosed
CN-110099932-A Resin combination 诺佛赛特有限责任公司 2019-08-06 CN disclosed
CN-109071745-A Cyanate ester compound, method for producing same, resin composition, cured product, prepreg, sealing material, fiber-reinforced composite material, adhesive, metal foil-clad laminate, resin sheet, and printed wiring board 三菱瓦斯化学株式会社 2018-12-21 CN disclosed
US-20180217498-A1 PHOTOACTIVABLE NITROGEN BASES BASF SE (DE) 2018-08-02 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-20140163165-A1 LOW MOLECULAR WEIGHT PRODUCTS AND USE THEREOF AS REVERSIBLE OR PERMANENT LOW-TEMPERATURE CROSSLINKING AGENT IN DIELS-ALDER REACTIONS DCLRE1A, ACP1, DERA CYP2D6 4462/4885KDM4E 2104/4885
US-20180217498-A1 PHOTOACTIVABLE NITROGEN BASES CBR1, NR0B1, NR0B2 CYP2D6 551/4885KDM4E 4101/4885

“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.