SCHEMBL18096014

SCHEMBL18096014

CC1(C)C(=O)OCCN1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
ELANE P08246 4/20 0.44
CTSG P08311 2/20 0.42
PRTN3 P24158 1/20 0.42
FAAH O00519 2/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NAAA Q02083 1/20 0.38
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
CMA1 P23946 1/20 0.38
CTRC Q99895 1/20 0.38
MC4R P32245 1/20 0.38

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
SCHEMBL26469162 0.73 SIGMAR1 (0.44) GAAELANECTSGPRTN3SIGMAR1
SCHEMBL14966562 0.73 GAA (0.45) GAAELANECTSGPRTN3DDB1
SCHEMBL29156295 0.73 ELANE (0.49) GAAELANECTSGPRTN3DDB1
SCHEMBL24696030 0.73 GAA (0.49) GAAELANECTSGPRTN3DDB1
SCHEMBL18096309 0.73 ELANE (0.45) GAAELANECTSGPRTN3DDB1
SCHEMBL15416003 0.72 GAA (0.44) GAAELANECTSGPRTN3DDB1
SCHEMBL26981274 0.71 ELANE (0.50) GAAELANECTSGPRTN3DDB1
SCHEMBL6132960 0.71 JAK2 (0.44) GAAELANEL3MBTL1SIGMAR1ALDH1A1
SCHEMBL15573689 0.69 FKBP1A (0.41) SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL3063747 0.68 FAAH (0.43) GAAELANECTSGPRTN3FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 US disclosed
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 US disclosed
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 US disclosed
WO-2016154075-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-09-29 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 (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-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, PARP12, TFPI2 GAA 4099/4885ELANE 566/4885CTSG 1340/4885

“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.