SCHEMBL4686484

SCHEMBL4686484

CCCN1CC(c2cccc3[nH]ncc23)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.44
DRD2 P14416 2/20 0.44
MET P08581 1/20 0.43
IDO1 P14902 1/20 0.42
PARP1 P09874 1/20 0.41
NOS1 P29475 3/20 0.41
AXL P30530 2/20 0.41
TRPV1 Q8NER1 3/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
METAP2 P50579 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL4684082 0.92 MET (0.41) SLC6A4DRD2METIDO1NOS1
SCHEMBL4684070 0.89 MET (0.45) SLC6A4METIDO1NOS1AXL
SCHEMBL6360875 0.87 DRD2 (0.50) DRD2ROCK2ROCK1
SCHEMBL4683922 0.83 IDO1 (0.44) DRD2IDO1PARP1TRPV1ROCK2
SCHEMBL4687377 0.82 MET (0.42) DRD2METIDO1NOS1AXL
SCHEMBL4687306 0.81 SIGMAR1 (0.47) IDO1TRPV1ROCK2ROCK1
SCHEMBL4688203 0.80 DRD3 (0.49) SLC6A4DRD2METIDO1ROCK2
SCHEMBL4687244 0.80 DRD3 (0.49) SLC6A4DRD2METIDO1ROCK2
SCHEMBL4688155 0.80 MET (0.41) DRD2METIDO1NOS1AXL
SCHEMBL4684964 0.80 MET (0.41) DRD2METIDO1NOS1AXL

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 7 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 claimed
US-20050267096-A1 New indazole and indolone derivatives and their use pharmaceuticals PFIZER INC 2005-12-01 US claimed
EP-1753763-B1 INDAZOLE AND INDOLONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS PFIZER LTD (GB) 2008-08-13 EP disclosed
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 SLC6A4 99/4885DRD2 1/4885MET 4681/4885

“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.