Sugi Predict

Sugi Predict / Compounds / SCHEMBL645638

SCHEMBL645638

SCHEMBL645638

CCOC(=O)C1(C(Cl)(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ MMP14 P50281 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ TACR1 P25103 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36

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
SCHEMBL647945 0.80 MMP2 (0.40) MMP2MMP3MMP9MMP8MMP13
SCHEMBL646451 0.78 MAPT (0.47) KDM4EALDH1A1MMP13TACR1MAPT
SCHEMBL24529777 0.78 OPRM1 (0.46) OPRM1ALDH1A1SLC6A2SLC6A4POLB
SCHEMBL1684094 0.76 OPRM1 (0.48) OPRM1KDM4ESLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL1282441 0.75 OPRM1 (0.47) OPRM1KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL28685852 0.72 OPRM1 (0.56) OPRM1SLC6A4
Hydrochloric Acid SCHEMBL11114651 0.70 OPRM1 (0.65) OPRM1SLC6A4TACR1
SCHEMBL2814112 0.68 OPRM1 (0.54) OPRM1KDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL1464562 0.68 CYP3A4 (0.54) NPSR1ALDH1A1MMP2MMP3MMP9
SCHEMBL9416780 0.68 THRB (0.51) NPSR1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 — — US disclosed
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 — — US disclosed
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 — — US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 — — US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 — — US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 — — US disclosed
EP-1673083-A4 N-SUBSTITUTED AZACYCLES BAYER CROPSCIENCE AG (DE) 2008-12-17 — — EP disclosed
EP-1673083-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2006-06-28 — — EP disclosed
WO-2005036961-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2005-04-28 — — 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-20090215821-A1 N-Substituted Azacycles DDT, UQCRB, DNMT1 OPRM1 544/4885NPSR1 1168/4885KDM4E 236/4885

“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.