Sugi Predict

Sugi Predict / Compounds / SCHEMBL1922248

SCHEMBL1922248

SCHEMBL1922248

CCc1nn2c(-c3ccc(Cl)cc3Cl)c(C)oc2c1C(=O)N(CC)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 4/20 0.45
▸ TSHR P16473 2/20 0.43
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CRHR1 P34998 2/20 0.38
▸ DPP4 P27487 6/20 0.38
▸ DPP8 Q6V1X1 2/20 0.38
▸ DPP9 Q86TI2 1/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL1923712 0.87 DPP4 (0.39) GPBAR1TSHRDPP4DPP8DPP9
SCHEMBL1922615 0.86 GPBAR1 (0.47) GPBAR1TSHRTP53CYP3A4CRHR1
SCHEMBL1922628 0.86 DPP4 (0.42) TP53DPP4DPP8DPP9SMN1; SMN2
SCHEMBL1922183 0.85 MARS1 (0.40) TSHRCRHR1DPP4DPP8SMN1; SMN2
SCHEMBL1922987 0.81 DPP4 (0.38) TSHRCYP3A4CRHR1DPP4DPP8
SCHEMBL1922346 0.81 MAPT (0.46) TSHRDPP4DPP8DPP9ALDH1A1
SCHEMBL2255169 0.80 DPP4 (0.47) TSHRCRHR1DPP4DPP8DPP9
SCHEMBL2256612 0.80 NPC1 (0.49) TP53DPP4DPP8DPP9ALDH1A1
SCHEMBL1921883 0.79 PLAT (0.43) GPBAR1TSHRCRHR1DPP4DPP8
SCHEMBL1922326 0.79 NPC1 (0.45) TSHRDPP4DPP8DPP9ALDH1A1

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 GPBAR1 307/4885TSHR 297/4885TP53 4211/4885

“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.