SCHEMBL17130380

SCHEMBL17130380

O=C(Nc1ccc(OC(F)(F)F)c(F)c1)NC1CCNCC1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 17/20 0.72
▸ EPHX1 P07099 2/20 0.69
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL30841475 1.00 EPHX2 (0.72) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL19012103 0.84 EPHX2 (1.00) EPHX2EPHX1
SCHEMBL22470475 0.82 NPC1 (0.74) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL17130367 0.82 EPHX2 (0.67) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL2718899 0.82 EPHX1 (1.00) EPHX2EPHX1
SCHEMBL31315636 0.81 EPHX2 (1.00) EPHX2
SCHEMBL17114637 0.81 EPHX2 (1.00) EPHX2
SCHEMBL17130390 0.81 EPHX2 (1.00) EPHX2
SCHEMBL19011828 0.81 EPHX2 (0.83) EPHX2EPHX1
SCHEMBL30954171 0.81 EPHX2 (0.65) EPHX2

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-3129023-B1 POTENT SOLUBLE EPOXIDE HYDROLASE INHIBITORS EICOSIS LLC (US) 2021-02-24 — — EP disclosed
WO-2020193448-A1 MULTITARGET COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE UNIVERSITAT DE BARCELONA (ES) 2020-10-01 — — WO disclosed
US-10377744-B2 Potent soluble epdxide hydrolase inhibitors EICOSIS, LLC (US) 2019-08-13 — — US disclosed
US-20170174665-A1 POTENT SOLUBLE EPOXIDE HYDROLASE INHIBITORS EICOSIS, LLC 2017-06-22 — — US disclosed
WO-2015148954-A1 POTENT SOLUBLE EPOXIDE HYDROLASE INHIBITORS EICOSIS, LLC (US) 2015-10-01 — — 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-10377744-B2 Potent soluble epdxide hydrolase inhibitors EPHX1, EPHX2, LTA4H EPHX2 2/4885EPHX1 1/4885NPC1 2513/4885
US-20170174665-A1 POTENT SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, LTA4H EPHX2 2/4885EPHX1 1/4885NPC1 1624/4885

“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.

Send feedback