SCHEMBL21057485

SCHEMBL21057485

O=C(N[C@H]1CCCC(F)(F)C1)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.58
ALDH1A1 P00352 2/20 0.57
GAA P10253 1/20 0.57
TSHR P16473 1/20 0.55
KDM1A O60341 1/20 0.53
MAOB P27338 1/20 0.53
DPP4 P27487 5/20 0.53
DPP7 Q9UHL4 5/20 0.53
KCNH2 Q12809 3/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50
TLR4 O00206 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL8243727 1.00 EPHX1 (0.58) EPHX1ALDH1A1GAATSHRKDM1A
SCHEMBL21057414 1.00 EPHX1 (0.58) EPHX1ALDH1A1GAATSHRKDM1A
SCHEMBL759590 0.92 ALDH1A1 (0.60) EPHX1ALDH1A1GAATSHRKDM1A
SCHEMBL30263905 0.92 ALDH1A1 (0.60) EPHX1ALDH1A1GAATSHRKDM1A
SCHEMBL30264325 0.92 ALDH1A1 (0.60) EPHX1ALDH1A1GAATSHRKDM1A
SCHEMBL361720 0.87 ALDH1A1 (0.62) EPHX1ALDH1A1GAATSHRKDM1A
SCHEMBL21057312 0.85 EPHX1 (0.56) EPHX1ALDH1A1GAATSHRKDM1A
SCHEMBL12633950 0.85 EPHX1 (0.58) EPHX1ALDH1A1GAATSHRKDM1A
SCHEMBL12633949 0.85 EPHX1 (0.58) EPHX1ALDH1A1GAATSHRKDM1A
SCHEMBL1881052 0.85 EPHX1 (0.58) EPHX1ALDH1A1GAATSHRKDM1A

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-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
CN-109937038-A Dicyclic nitrogen-containing heterocycle compound 田边三菱制药株式会社 2019-06-25 CN disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 US disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 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 (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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A EPHX1 2552/4885ALDH1A1 1644/4885GAA 1662/4885

“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.