SCHEMBL15635693

SCHEMBL15635693

CC(C)CCNc1ncc(F)cc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.40
CYP1A2 P05177 1/20 0.38
JAK2 O60674 6/20 0.36
JAK1 P23458 4/20 0.36
JAK3 P52333 4/20 0.36
TYK2 P29597 3/20 0.36
AGBL2 Q5U5Z8 1/20 0.36
KDM6B O15054 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
PTGER4 P35408 1/20 0.35
ADORA2A P29274 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34

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
SCHEMBL15636527 0.86 KDM4C (0.47) CHRNA7JAK2JAK1JAK3AGBL2
SCHEMBL3576168 0.81 JAK2 (0.43) CHRNA7JAK2JAK3AGBL2PTGER4
SCHEMBL869588 0.80 AGBL2 (0.34) JAK2AGBL2KDM6BKDM4CIRAK4
SCHEMBL17363137 0.79 CHRNA7 (0.38) CHRNA7AGBL2KDM4CL3MBTL1
SCHEMBL15635173 0.79 MEN1 (0.38) CHRNA7JAK2JAK1JAK3TYK2
SCHEMBL870821 0.78 FLT3 (0.43) CHRNA7L3MBTL1
SCHEMBL15636238 0.78 KDM4E (0.36) CHRNA7JAK2AGBL2KDM6BKDM4C
SCHEMBL870804 0.77 KDM4E (0.55) KDM6BKDM4CNPSR1L3MBTL1
SCHEMBL15639188 0.76 CHRNA7 (0.38) CHRNA7AGBL2IRAK4PTGER4HCAR2
SCHEMBL3582514 0.76 CHRNA7 (0.41) CHRNA7JAK2AGBL2KDM4CPTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903965-B1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS ORION CORP (FI) 2017-03-01 EP disclosed
US-9533952-B2 N-prop-2-ynyl carboxamide derivatives and their use as TRPA1 antagonists ORION CORPORATION (FI) 2017-01-03 US disclosed
US-20150376130-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS Orlon Corporation (FI) 2015-12-31 US disclosed
EP-2903965-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS Orion Corporation (FI) 2015-08-12 EP disclosed
WO-2014053694-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS ORION CORPORATION (FI) 2014-04-10 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-20150376130-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 CHRNA7 255/4885CYP1A2 1949/4885JAK2 4272/4885

“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.