SCHEMBL6018914

SCHEMBL6018914

COC[C@@H]1C[C@@H](OC)CN1c1cc(C)nn2c(-c3ccc(Cl)cc3Cl)c(C)cc12

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
DPP4 P27487 2/20 0.38
CRHR1 P34998 15/20 0.38
NPC1 O15118 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34

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
SCHEMBL6020955 0.70 DPP4 (0.41) DPP4CRHR1NPC1DPP8DPP9
SCHEMBL5788518 0.69 DPP4 (0.48) DPP4CRHR1NPC1DPP8DPP9
SCHEMBL5804461 0.69 NPC1 (0.50) DPP4CRHR1NPC1DPP8DPP9
SCHEMBL5724293 0.69 CRHR1 (0.37) ADORA2AADORA1DPP4CRHR1DPP8
SCHEMBL5815735 0.68 CRHR1 (0.49) DPP4CRHR1NPC1DPP8DPP9
SCHEMBL6883642 0.67 DPP4 (0.37) DPP4CRHR1NPC1DPP8DPP9
SCHEMBL6816578 0.67 DPP4 (0.39) DPP4CRHR1NPC1DPP8DPP9
SCHEMBL5724420 0.67 CRHR1 (0.48) ADORA2AADORA1DPP4CRHR1DPP8
SCHEMBL6018979 0.67 HSD17B10 (0.42) DPP4CRHR1NPC1
SCHEMBL5724691 0.67 CRHR1 (0.35) ADORA2AADORA1DPP4CRHR1DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622911-A2 PYRROLO[1,2-B]PYRIDAZINE COMPOUNDS AND THEIR USE AS CRF-1 RECEPTOR ANTAGONISTS Pharmacia & Upjohn Company LLC (US) 2006-02-08 EP claimed
US-20040242587-A1 Pyrrolo[1,2-b]pyridazine compounds PFIZER INC 2004-12-02 US claimed
WO-2004099213-A2 PYRROLO (1,2-B) PYRIDAZINE COMPOUNDS AND THEIR USE AS CRF-1 RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-11-18 WO claimed
EP-1622911-A2 PYRROLO[1,2-B]PYRIDAZINE COMPOUNDS AND THEIR USE AS CRF-1 RECEPTOR ANTAGONISTS Pharmacia & Upjohn Company LLC (US) 2006-02-08 EP disclosed
US-20040242587-A1 Pyrrolo[1,2-b]pyridazine compounds PFIZER INC 2004-12-02 US disclosed
WO-2004099213-A2 PYRROLO (1,2-B) PYRIDAZINE COMPOUNDS AND THEIR USE AS CRF-1 RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-11-18 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-20040242587-A1 Pyrrolo[1,2-b]pyridazine compounds CRHR1, CRHR2, CRH ADORA2A 128/4885ADORA1 67/4885DPP4 1351/4885

“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.