SCHEMBL4687306

SCHEMBL4687306

c1ccc(CCCN2CC(c3cccc4[nH]ncc34)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.47
GRIN2B Q13224 2/20 0.45
OPRM1 P35372 1/20 0.43
IDO1 P14902 1/20 0.42
GRIN1 Q05586 1/20 0.42
ROCK2 O75116 1/20 0.41
ARHGDIA P52565 1/20 0.41
ROCK1 Q13464 1/20 0.41
PYGL P06737 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL4683922 0.93 IDO1 (0.44) GRIN2BIDO1ROCK2ARHGDIAROCK1
SCHEMBL4684082 0.84 MET (0.41) SIGMAR1IDO1TRPV1
SCHEMBL4686484 0.81 SLC6A4 (0.44) IDO1ROCK2ROCK1TRPV1
SCHEMBL4684070 0.78 MET (0.45) IDO1TRPV1
SCHEMBL4687377 0.74 MET (0.42) IDO1TRPV1
SCHEMBL22057848 0.72 MEN1 (0.47) TRPV1
SCHEMBL4684964 0.70 MET (0.41) IDO1TRPV1
SCHEMBL4688155 0.70 MET (0.41) IDO1TRPV1
SCHEMBL6360875 0.70 DRD2 (0.50) SIGMAR1ROCK2ROCK1
SCHEMBL3671316 0.70 TRPV1 (0.47) IDO1ROCK2ROCK1TRPV1

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 6 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-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 SIGMAR1 315/4885GRIN2B 319/4885OPRM1 400/4885

“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.