SCHEMBL5889600

SCHEMBL5889600

CCC(CC)Nc1cc(C)nn2c(-c3ccc(Cl)cc3Cl)c(C)cc12

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 18/20 0.50
DPP4 P27487 1/20 0.44
NPC1 O15118 1/20 0.40

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
SCHEMBL5786088 0.90 DPP4 (0.43) CRHR1DPP4NPC1
SCHEMBL5785081 0.90 DPP4 (0.43) CRHR1DPP4NPC1
SCHEMBL5815735 0.88 CRHR1 (0.49) CRHR1DPP4NPC1
SCHEMBL5465128 0.87 CRHR1 (0.52) CRHR1
SCHEMBL5945279 0.79 CRHR1 (0.52) CRHR1
SCHEMBL5846977 0.79 CRHR1 (0.53) CRHR1
SCHEMBL5473168 0.78 CRHR1 (0.45) CRHR1
SCHEMBL2584391 0.78 CRHR1 (0.42) CRHR1
SCHEMBL6816578 0.77 DPP4 (0.39) CRHR1DPP4NPC1
SCHEMBL5804461 0.76 NPC1 (0.50) CRHR1DPP4NPC1

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
US-7074791-B2 Pyrrolo[1,2-b]pyridazine compounds and their uses PFIZER INC. (US) 2006-07-11 US claimed
US-20040138221-A1 Pyrrrolo[1,2-b]pyridazine compounds and their uses PFIZER INC. 2004-07-15 US claimed
WO-2004035586-A1 PYRROLO[1,2-B]PYRIDAZINE COMPOUNDS AND THEIR USES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-04-29 WO claimed
US-7074791-B2 Pyrrolo[1,2-b]pyridazine compounds and their uses PFIZER INC. (US) 2006-07-11 US disclosed
US-20040138221-A1 Pyrrrolo[1,2-b]pyridazine compounds and their uses PFIZER INC. 2004-07-15 US disclosed
WO-2004035586-A1 PYRROLO[1,2-B]PYRIDAZINE COMPOUNDS AND THEIR USES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-04-29 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-20040138221-A1 Pyrrrolo[1,2-b]pyridazine compounds and their uses CRHR1, CRHR2, MC2R CRHR1 1/4885DPP4 1497/4885NPC1 1920/4885

“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.