SCHEMBL15636136

SCHEMBL15636136

O=C(O)c1cc(F)cnc1NCCOc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.47
PTGER4 P35408 4/20 0.44
HTR7 P34969 3/20 0.43
ADRA1D P25100 2/20 0.43
HTR2C P28335 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
PPARA Q07869 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL15638719 0.96 CHRNA7 (0.47) CHRNA7PTGER4HTR7ADRA1DHTR2C
SCHEMBL15638267 0.84 CHRNA7 (0.51) CHRNA7LMNANPSR1NPC1MAPT
SCHEMBL15636310 0.81 CHRNA7 (0.50) CHRNA7LMNANPC1MAPTRAB9A
SCHEMBL15635768 0.79 CHRNA7 (0.42) CHRNA7PTGER4HTR7ADRA1DHTR2C
SCHEMBL870110 0.79 P4HTM (0.55) PTGER4PPARAMAPT
SCHEMBL870804 0.76 KDM4E (0.55) SMN1; SMN2LMNANPSR1KDM4CMAPT
SCHEMBL15635601 0.76 CHRNA7 (0.41) CHRNA7PTGER4SMN1; SMN2LMNANPC1
SCHEMBL17363137 0.76 CHRNA7 (0.38) CHRNA7KDM4CMAPTL3MBTL1
SCHEMBL5317568 0.75 PPARA (0.60) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL3576168 0.75 JAK2 (0.43) CHRNA7PTGER4MAPK1

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 6 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
US-20100076087-A1 METHODS OF REDUCTION OF INTERPATIENT VARIABILITY AUSPEX PHARMACEUTICALS, INC. (US) 2010-03-25 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-20100076087-A1 METHODS OF REDUCTION OF INTERPATIENT VARIABILITY TPMT, GUSB, CYP2D6 CHRNA7 3272/4885PTGER4 1621/4885HTR7 1539/4885
US-20150376130-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 CHRNA7 255/4885PTGER4 740/4885HTR7 212/4885

“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.