SCHEMBL4683950

SCHEMBL4683950

CCCN1C[C@H](c2cccc3[nH]ncc23)OC[C@@H]1C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.50
DRD3 P35462 9/20 0.50
DRD4 P21917 2/20 0.50
IDO1 P14902 1/20 0.37
MET P08581 1/20 0.37
PIK3CA P42336 1/20 0.35
ESR1 P03372 1/20 0.34
KCNH2 Q12809 1/20 0.34
OPRM1 P35372 1/20 0.34
NOS1 P29475 3/20 0.33
AXL P30530 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
SCHEMBL4686705 1.00 DRD2 (0.50) DRD2DRD3DRD4IDO1MET
SCHEMBL4684880 0.91 DRD2 (0.39) DRD2DRD3DRD4IDO1MET
SCHEMBL4689438 0.91 DRD2 (0.39) DRD2DRD3DRD4IDO1MET
SCHEMBL4687312 0.91 DRD2 (0.39) DRD2DRD3DRD4IDO1MET
SCHEMBL4688203 0.79 DRD3 (0.49) DRD2DRD3IDO1MET
SCHEMBL4687244 0.79 DRD3 (0.49) DRD2DRD3IDO1MET
SCHEMBL4686484 0.74 SLC6A4 (0.44) DRD2IDO1METNOS1AXL
SCHEMBL5231526 0.72 DRD2 (0.60) DRD2DRD3DRD4OPRM1
SCHEMBL4688304 0.70 DRD2 (0.44) DRD2DRD3DRD4KCNH2OPRM1
SCHEMBL4683948 0.70 DRD2 (0.44) DRD2DRD3DRD4KCNH2OPRM1

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
EP-1753763-B1 INDAZOLE AND INDOLONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS PFIZER LTD (GB) 2008-08-13 EP disclosed
EP-1753763-A2 INDAZOLE AND INDOLONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS Pfizer Limited (GB) 2007-02-21 EP disclosed
WO-2005116027-A2 INDAZOLE AND INDOLONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS PFIZER LIMTED (GB) 2005-12-08 WO disclosed
US-20050267096-A1 New indazole and indolone derivatives and their use pharmaceuticals PFIZER INC 2005-12-01 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-20050267096-A1 New indazole and indolone derivatives and their use pharmaceuticals DRD2, DRD3, DRD1 DRD2 1/4885DRD3 2/4885DRD4 7/4885

“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.