SCHEMBL12466289

SCHEMBL12466289

NCc1ccc(CNC(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.61
TPSAB1 Q15661 2/20 0.60
TPSD1 Q9BZJ3 2/20 0.60
TPSG1 Q9NRR2 2/20 0.60
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
CHRNA7 P36544 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ADRB2 P07550 1/20 0.49
CCR1 P32246 1/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2J2 P51589 3/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL7096653 0.91 EPHX2 (0.59) EPHX2TPSAB1TPSD1TPSG1ALDH1A1
SCHEMBL13873498 0.91 EPHX2 (0.64) EPHX2ALDH1A1TSHRCHRNA7SMN1; SMN2
SCHEMBL13890321 0.89 EPHX2 (0.59) EPHX2TPSAB1TPSD1TPSG1ALDH1A1
SCHEMBL4101221 0.89 EPHX2 (0.61) EPHX2ALDH1A1TSHRCHRNA7SMN1; SMN2
SCHEMBL4105262 0.89 CHRNA7 (0.66) EPHX2ALDH1A1TSHRCHRNA7SMN1; SMN2
SCHEMBL7092551 0.85 EPHX2 (0.57) EPHX2ALDH1A1TSHRCHRNA7SMN1; SMN2
SCHEMBL4114824 0.84 EPHX2 (0.70) EPHX2ALDH1A1TSHRCHRNA7ADRB2
SCHEMBL13873470 0.83 EPHX2 (0.60) EPHX2ALDH1A1TSHRCHRNA7SMN1; SMN2
SCHEMBL4106438 0.83 EPHX2 (0.60) EPHX2ALDH1A1TSHRCHRNA7SMN1; SMN2
SCHEMBL13873500 0.82 EPHX2 (0.61) EPHX2ALDH1A1TSHRCHRNA7SMN1; SMN2

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
US-20130324556-A1 Protease Activated Receptor 2 (PAR2) Antagonists PROXIMAGEN LTD. (GB) 2013-12-05 US claimed
EP-2668157-A1 PROTEASE ACTIVATED RECEPTOR 2 (PAR2) ANTAGONISTS Proximagen Limited (GB) 2013-12-04 EP claimed
WO-2012101453-A1 PROTEASE ACTIVATED RECEPTOR 2 (PAR2) ANTAGONISTS PROXIMAGEN LTD. (GB) 2012-08-02 WO claimed
US-20130324556-A1 Protease Activated Receptor 2 (PAR2) Antagonists PROXIMAGEN LTD. (GB) 2013-12-05 US disclosed
EP-2668157-A1 PROTEASE ACTIVATED RECEPTOR 2 (PAR2) ANTAGONISTS Proximagen Limited (GB) 2013-12-04 EP disclosed
WO-2012101453-A1 PROTEASE ACTIVATED RECEPTOR 2 (PAR2) ANTAGONISTS PROXIMAGEN LTD. (GB) 2012-08-02 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-20130324556-A1 Protease Activated Receptor 2 (PAR2) Antagonists F2RL1, F2R, F2RL3 EPHX2 2270/4885TPSAB1 169/4885TPSD1 184/4885

“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.