SCHEMBL6020955

SCHEMBL6020955

Cc1cc(N2CCC(=O)CC2)c2cc(C)c(-c3ccc(Cl)cc3Cl)n2n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.41
NPC1 O15118 1/20 0.40
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38
CRHR1 P34998 7/20 0.37
SMPD2 O60906 1/20 0.36
DPP8 Q6V1X1 2/20 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
SCHEMBL6019572 0.90 HSD17B10 (0.38) DPP4NPC1CNR1CNR2CRHR1
SCHEMBL6883642 0.82 DPP4 (0.37) DPP4NPC1CNR1CNR2CRHR1
SCHEMBL6018968 0.81 DPP4 (0.38) DPP4NPC1CNR1CNR2CRHR1
SCHEMBL6018979 0.81 HSD17B10 (0.42) DPP4NPC1CRHR1SMPD2
SCHEMBL5788518 0.75 DPP4 (0.48) DPP4NPC1CRHR1DPP8DPP9
SCHEMBL5804461 0.75 NPC1 (0.50) DPP4NPC1CRHR1DPP8DPP9
SCHEMBL6018914 0.70 ADORA2A (0.38) DPP4NPC1CRHR1DPP8DPP9
SCHEMBL7284283 0.69 AKR1C3 (0.50)
SCHEMBL5847143 0.68 DPP4 (0.51) DPP4NPC1CRHR1DPP8DPP9
SCHEMBL5889600 0.68 CRHR1 (0.50) DPP4NPC1CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242587-A1 Pyrrolo[1,2-b]pyridazine compounds PFIZER INC 2004-12-02 US 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 DPP4 1351/4885NPC1 1224/4885CNR1 8/4885

“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.