Sugi Predict

Sugi Predict / Compounds / SCHEMBL1921789

SCHEMBL1921789

SCHEMBL1921789

Cc1nn2c(-c3ccc(Cl)cc3Cl)c(C)oc2c1O[C@H](C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 10/20 0.38
▸ CRHR1 P34998 5/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ DPP8 Q6V1X1 3/20 0.35
▸ DPP9 Q86TI2 2/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ SLC6A4 P31645 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL1922743 1.00 DPP4 (0.38) DPP4CRHR1CYP3A4CYP2C19CYP2C9
SCHEMBL1923838 0.87 CRHR1 (0.38) DPP4CRHR1CYP3A4CYP2C19CYP2C9
SCHEMBL1922550 0.86 CRHR1 (0.42) DPP4CRHR1DPP8
SCHEMBL12360887 0.86 DPP4 (0.38) DPP4CRHR1CYP3A4CYP2C19CYP2C9
SCHEMBL1922574 0.86 DPP4 (0.38) DPP4CRHR1CYP3A4CYP2C19CYP2C9
SCHEMBL12360890 0.86 DPP4 (0.38) DPP4CRHR1CYP3A4CYP2C19CYP2C9
SCHEMBL2256506 0.85 DPP4 (0.37) DPP4CRHR1CYP3A4CYP2C19CYP2C9
SCHEMBL1922410 0.85 DPP4 (0.38) DPP4CRHR1CYP3A4CYP2C19CYP2C9
SCHEMBL1922667 0.84 CRHR1 (0.43) DPP4CRHR1DPP8
SCHEMBL1923082 0.83 CRHR1 (0.41) DPP4CRHR1DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011529943-A — — 2011-12-15 — — JP claimed
US-7994203-B2 Organic compounds NOVARTIS AG (CH) 2011-08-09 — — US claimed
EP-2328902-A1 PYRAZOLO [5,1-B]OXAZOLE DERIVATIVES AS CRF1 ANTAGONISTS Novartis AG (CH) 2011-06-08 — — EP claimed
WO-2010015628-A1 PYRAZOLO [5,1-B] OXAZOLE DERIVATIVES AS CRF1 ANTAGONISTS NOVARTIS AG (CH) 2010-02-11 — — WO claimed
US-20100035874-A1 Organic compounds NOVARTIS AG (CH) 2010-02-11 — — US claimed
US-7994203-B2 Organic compounds NOVARTIS AG (CH) 2011-08-09 — — US disclosed
US-7994203-B2 Organic compounds NOVARTIS AG (CH) 2011-08-09 — — US disclosed
US-7994203-B2 Organic compounds NOVARTIS AG (CH) 2011-08-09 — — US disclosed
EP-2328902-A1 PYRAZOLO [5,1-B]OXAZOLE DERIVATIVES AS CRF1 ANTAGONISTS Novartis AG (CH) 2011-06-08 — — EP disclosed
WO-2010015628-A1 PYRAZOLO [5,1-B] OXAZOLE DERIVATIVES AS CRF1 ANTAGONISTS NOVARTIS AG (CH) 2010-02-11 — — WO disclosed
WO-2010015628-A1 PYRAZOLO [5,1-B] OXAZOLE DERIVATIVES AS CRF1 ANTAGONISTS NOVARTIS AG (CH) 2010-02-11 — — WO disclosed
US-20100035874-A1 Organic compounds NOVARTIS AG (CH) 2010-02-11 — — US disclosed
US-20100035874-A1 Organic compounds NOVARTIS AG (CH) 2010-02-11 — — US disclosed
US-20100035874-A1 Organic compounds NOVARTIS AG (CH) 2010-02-11 — — 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-20100035874-A1 Organic compounds CRH, CRHR1, CRHR2 DPP4 958/4885CRHR1 2/4885CYP3A4 1380/4885

“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.