SCHEMBL4684082

SCHEMBL4684082

CCCCN1CC(c2cccc3[nH]ncc23)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.41
IDO1 P14902 1/20 0.40
TRPV1 Q8NER1 3/20 0.39
NOS1 P29475 3/20 0.39
AXL P30530 1/20 0.39
DRD2 P14416 3/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
ESR1 P03372 2/20 0.38
KCNH2 Q12809 2/20 0.38
HTR1A P08908 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A4 P31645 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL4686484 0.92 SLC6A4 (0.44) METIDO1TRPV1NOS1AXL
SCHEMBL4687306 0.84 SIGMAR1 (0.47) IDO1TRPV1SIGMAR1
SCHEMBL6360875 0.80 DRD2 (0.50) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4687377 0.80 MET (0.42) METIDO1TRPV1NOS1AXL
SCHEMBL4688155 0.78 MET (0.41) METIDO1TRPV1NOS1AXL
SCHEMBL4684964 0.78 MET (0.41) METIDO1TRPV1NOS1AXL
SCHEMBL17053409 0.75 MET (0.50) METIDO1TRPV1NOS1AXL
SCHEMBL22808947 0.74 MET (0.44) METIDO1TRPV1NOS1AXL
SCHEMBL4688203 0.73 DRD3 (0.49) METIDO1DRD2DRD3SLC6A4
Hydrochloric Acid SCHEMBL4683856 0.71 NOS1 (0.47) METIDO1TRPV1NOS1AXL

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-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 4681/4885IDO1 53/4885TRPV1 1329/4885

“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.