Sugi Predict

Sugi Predict / Compounds / SCHEMBL945095

SCHEMBL945095

SCHEMBL945095

O=[N+]([O-])c1ccc(N[C@H]2CC[C@H](CO)CC2)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.50
▸ AR P10275 4/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ GLA P06280 2/20 0.50
▸ CES2 O00748 1/20 0.50
▸ ABCB11 O95342 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ TBXA2R P21731 1/20 0.50
▸ AADAC P22760 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ HTT P42858 1/20 0.50

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
SCHEMBL12916482 1.00 CNR2 (0.50) CNR2ARCYP3A4GLACES2
SCHEMBL945097 1.00 CNR2 (0.50) CNR2ARCYP3A4GLACES2
SCHEMBL12916486 0.89 GLA (0.51) CNR2ARCYP3A4GLACES2
SCHEMBL15354105 0.89 GLA (0.51) CNR2ARCYP3A4GLACES2
SCHEMBL946269 0.88 AR (0.52) CNR2ARCYP3A4GLACES2
SCHEMBL946271 0.88 AR (0.52) CNR2ARCYP3A4GLACES2
SCHEMBL12916494 0.87 CNR2 (0.53) CNR2ARCYP3A4GLACES2
SCHEMBL15354102 0.87 CNR2 (0.53) CNR2ARCYP3A4GLACES2
SCHEMBL28028086 0.86 AR (0.50) CNR2ARCYP3A4GLACES2
SCHEMBL5923538 0.86 LMNA (0.54) CNR2ARCYP3A4GLACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234973-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-07-02 — — EP disclosed
EP-2234973-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-07-02 — — EP disclosed
US-8569495-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-10-29 — — US disclosed
US-8569495-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-10-29 — — US disclosed
US-8569495-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-10-29 — — US disclosed
CN-101896459-B Anthelmintic and its use INTERVET INT BV 2013-07-24 — — CN disclosed
US-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-01-27 — — US disclosed
US-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-01-27 — — US disclosed
CN-101896459-A Anthelmintic and its use INTERVET INT BV 2010-11-24 — — CN disclosed
EP-2234973-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2010-10-06 — — EP disclosed
WO-2009077527-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2009-06-25 — — 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-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO CNR2 1257/4885AR 4080/4885CYP3A4 272/4885

“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.