SCHEMBL4687377

SCHEMBL4687377

CC(C)CN1CC(c2cccc3[nH]ncc23)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.42
TRPV1 Q8NER1 2/20 0.42
IDO1 P14902 2/20 0.41
NOS1 P29475 3/20 0.40
AXL P30530 2/20 0.40
ESR1 P03372 7/20 0.39
GPER1 Q99527 1/20 0.38
KCNH2 Q12809 1/20 0.38
DRD2 P14416 1/20 0.37
METAP2 P50579 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
SCHEMBL4684070 0.85 MET (0.45) METTRPV1IDO1NOS1AXL
SCHEMBL4686484 0.82 SLC6A4 (0.44) METTRPV1IDO1NOS1AXL
SCHEMBL4684964 0.82 MET (0.41) METTRPV1IDO1NOS1AXL
SCHEMBL4688155 0.82 MET (0.41) METTRPV1IDO1NOS1AXL
SCHEMBL4684082 0.80 MET (0.41) METTRPV1IDO1NOS1AXL
SCHEMBL4683922 0.76 IDO1 (0.44) TRPV1IDO1KCNH2DRD2METAP2
SCHEMBL4687306 0.74 SIGMAR1 (0.47) TRPV1IDO1
SCHEMBL6360875 0.74 DRD2 (0.50) DRD2
SCHEMBL3671316 0.73 TRPV1 (0.47) METTRPV1IDO1NOS1AXL
SCHEMBL14102482 0.73 NOS1 (0.49) METTRPV1IDO1NOS1AXL

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 3 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
CN-1968952-A New indazole and indolone derivatives and their use pharmaceuticals PFIZER (US) 2007-05-23 CN 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 MET 4681/4885TRPV1 1329/4885IDO1 53/4885

“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.