SCHEMBL10180870

SCHEMBL10180870

O=C(O)N1CCC(c2cnc(Cn3ccc4cc([N+](=O)[O-])cc(F)c43)c(F)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 13/20 0.35
THRA P10827 1/20 0.31
VDR P11473 1/20 0.31
CCR5 P51681 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
NPY2R P49146 1/20 0.31
GUCY1A1 Q02108 1/20 0.31
GUCY1B1 Q02153 1/20 0.31
SLC18A3 Q16572 1/20 0.31

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
SCHEMBL10180869 1.00 EGLN1 (0.35) EGLN1THRAVDRCCR5ALDH1A1
SCHEMBL14142023 0.90 EGLN1 (0.35) EGLN1THRAVDRCCR5ALDH1A1
SCHEMBL10179775 0.88 TLR7 (0.39) ALDH1A1MAPT
SCHEMBL10179508 0.88 STAT3 (0.34) EGLN1CCR5GUCY1A1GUCY1B1SLC18A3
SCHEMBL10179510 0.88 STAT3 (0.34) EGLN1CCR5GUCY1A1GUCY1B1SLC18A3
SCHEMBL10181122 0.87 EGLN1 (0.37) EGLN1GUCY1A1GUCY1B1
SCHEMBL10179177 0.81 EGLN1 (0.34) EGLN1ALDH1A1
SCHEMBL14142016 0.78 SMN1; SMN2 (0.40) ALDH1A1MAPT
SCHEMBL10179375 0.78 CCR5 (0.34) EGLN1THRAVDRCCR5GUCY1A1
SCHEMBL10179503 0.77 PPARG (0.40) EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245344-A1 GPR119 AGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2012-09-27 US disclosed
EP-2474540-A1 GPR119 AGONIST Nippon Chemiphar Co., Ltd. (JP) 2012-07-11 EP 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-20120245344-A1 GPR119 AGONIST GPR119, GPR4, GPR55 EGLN1 1443/4885THRA 413/4885VDR 78/4885

“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.