SCHEMBL2830265

SCHEMBL2830265

O=C(Oc1ccc([N+](=O)[O-])cc1)OC1CCN(C(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MGLL Q99685 3/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL20625250 0.86 GAA (0.51) CYP1A2CYP2D6MAPTPOLBCYP2C9
SCHEMBL313843 0.86 MAPT (0.48) CYP1A2CYP2D6MAPTPOLBCYP2C9
SCHEMBL8484189 0.85 FAAH (0.62) CYP1A2CYP2D6MGLL
SCHEMBL31677693 0.85 CYP1A2 (0.48) CYP1A2CYP2D6MGLL
Hydrochloric Acid SCHEMBL16694536 0.85 ALDH1A1 (0.47) CYP1A2CYP2D6MAPTPOLBCYP2C9
SCHEMBL6136613 0.84 CYP1A2 (0.50) CYP1A2CYP2D6MAPTPOLBCYP2C9
SCHEMBL2803614 0.84 CYP1A2 (0.49) CYP1A2CYP2D6MAPTPOLBCYP2C9
SCHEMBL2722317 0.84 CYP1A2 (0.49) CYP1A2CYP2D6MAPTPOLBCYP2C9
SCHEMBL2803619 0.83 ALDH1A1 (0.58) CYP1A2CYP2D6MAPTMGLLALDH1A1
SCHEMBL22806633 0.83 CYP1A2 (0.46) CYP1A2CYP2D6MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 CYP1A2 814/4885CYP2D6 528/4885MAPT 3212/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 CYP1A2 479/4885CYP2D6 263/4885MAPT 2968/4885

“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.