SCHEMBL1706303

SCHEMBL1706303

CC(=O)OC1CCCCC1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.42
CHRM1 P11229 3/20 0.42
CHRM4 P08173 2/20 0.42
CHRM3 P20309 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 1/20 0.41
SLC18A3 Q16572 2/20 0.40
THRB P10828 1/20 0.38
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32

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
SCHEMBL16995324 1.00 CHRM2 (0.42) CHRM2CHRM1CHRM4CHRM3MEN1
SCHEMBL8573060 0.96 CHRM2 (0.46) CHRM2CHRM1CHRM4CHRM3MEN1
SCHEMBL7926060 0.84 CHRM2 (0.48) CHRM2CHRM1CHRM4CHRM3MEN1
SCHEMBL7926056 0.84 CHRM2 (0.48) CHRM2CHRM1CHRM4CHRM3MEN1
SCHEMBL7920287 0.84 CHRM2 (0.48) CHRM2CHRM1CHRM4CHRM3MEN1
SCHEMBL16672047 0.81 CHRM2 (0.47) CHRM2CHRM1CHRM4CHRM3MEN1
SCHEMBL17838825 0.80 THRB (0.39) MEN1KMT2ATHRBMMP2MMP9
SCHEMBL20739473 0.80 THRB (0.39) MEN1KMT2ATHRBMMP2MMP9
SCHEMBL20243545 0.80 THRB (0.39) MEN1KMT2ATHRBMMP2MMP9
SCHEMBL28592040 0.80 THRB (0.39) MEN1KMT2ATHRBMMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254659-B1 Capsaicinoid prodrug compounds and their use in treating medical conditions CENTREXION THERAPEUTICS CORPORATION (US) 2022-02-22 US disclosed
CN-108840908-A A kind of novel crystal forms of telavi and preparation method thereof 刘凤娟 2018-11-20 CN disclosed
CN-103608332-A Pyridine-2-amides useful as CB2 agonists HOFFMANN LA ROCHE 2014-02-26 CN disclosed
EP-2203562-B1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY AND/OR DIASTEREOMERICALLY ENRICHED ESTER, THIOESTER, ALCOHOL OR THIOL DSM IP ASSETS BV (NL) 2012-04-18 EP disclosed
US-20100304451-A1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY AND/OR DIASTEREOMERICALLY ENRICHED ESTER, THIOESTER, ALCOHOL OR THIOL DSM IP ASSETS B.V. (NL) 2010-12-02 US disclosed
EP-2203562-A1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY AND/OR DIASTEREOMERICALLY ENRICHED ESTER, THIOESTER, ALCOHOL OR THIOL DSM IP Assets B.V. (NL) 2010-07-07 EP disclosed
WO-2009050216-A1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY AND/OR DIASTEREOMERICALLY ENRICHED ESTER, THIOESTER, ALCOHOL OR THIOL DSM IP ASSETS BV (NL) 2009-04-23 WO disclosed
EP-1432691-A1 IMIDAZOLE-4-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF FOR TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
WO-2003040107-A1 IMIDAZOLE-4-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF FOR TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2003-05-15 WO 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-11254659-B1 Capsaicinoid prodrug compounds and their use in treating medical conditions TRPV1, TRPA1, TRPV2 CHRM2 2999/4885CHRM1 3067/4885CHRM4 2762/4885
US-20100304451-A1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY AND/OR DIASTEREOMERICALLY ENRICHED ESTER, THIOESTER, ALCOHOL OR THIOL ADH1C, ACOT7, ADH5 CHRM2 2972/4885CHRM1 2580/4885CHRM4 2889/4885

“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.