SCHEMBL4464863

SCHEMBL4464863

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL23707618 0.82 GABRR1 (0.30)
SCHEMBL13246021 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28915150 0.80 TSHR (0.39) TSHRTDP1
SCHEMBL598372 0.80 TSHR (0.32) TSHRTDP1
SCHEMBL4167824 0.80 CYP2D6 (0.50) ALDH1A1CYP2D6GABBR2GABBR1
SCHEMBL8007439 0.79 ALDH1A1 (0.30) ALDH1A1CYP2D6GABBR2GABBR1
SCHEMBL21472090 0.78 ALDH1A1 (0.33) ALDH1A1CYP2D6GABBR2GABBR1
SCHEMBL13060093 0.77
SCHEMBL19227358 0.77
SCHEMBL9845113 0.77

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-7420080-B2 Multistage continuous preparation of cycloaliphatic diisocyanates DEGUSSA AG (DE) 2008-09-02 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
EP-3206244-A1 NEGATIVE ELECTRODE ACTIVE SUBSTANCE FOR NONAQUEOUS ELECTROLYTE SECONDARY CELL, NEGATIVE ELECTRODE FOR NONAQUEOUS ELECTROLYTE SECONDARY CELL, NONAQUEOUS ELECTROLYTE SECONDARY CELL, AND METHOD FOR PRODUCING NEGATIVE ELECTRODE MATERIAL FOR NONAQUEOUS ELECTROLYTE SECONDARY CELL Shin-Etsu Chemical Co., Ltd. (JP) 2017-08-16 EP disclosed
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 disclosed
EP-2500349-A1 Synthetic LTA mimetics and use thereof as vaccine component for therapy and/or prophylaxis against gram-positive infections Universitätsklinikum Freiburg (DE) 2012-09-19 EP 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-20140163165-A1 LOW MOLECULAR WEIGHT PRODUCTS AND USE THEREOF AS REVERSIBLE OR PERMANENT LOW-TEMPERATURE CROSSLINKING AGENT IN DIELS-ALDER REACTIONS DCLRE1A, ACP1, DERA ALDH1A1 190/4885CYP2D6 4462/4885GABBR2 3943/4885

“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.