SCHEMBL4687249

SCHEMBL4687249

CCCN1CCO[C@H](c2cccc3c2CC(=O)N3)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 11/20 0.48
DRD2 P14416 3/20 0.40
OPRM1 P35372 3/20 0.40
HTR2A P28223 2/20 0.40
DRD4 P21917 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ADRA2B P18089 1/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL4688234 1.00 DRD3 (0.48) DRD3DRD2OPRM1HTR2ADRD4
SCHEMBL10509406 0.80 DRD2 (0.52) DRD3DRD2OPRM1HTR2ADRD4
SCHEMBL10977567 0.80 DRD2 (0.49) DRD3DRD2DRD4DRD1DRD5
Hydrochloric Acid SCHEMBL10671440 0.79 DRD2 (0.51) DRD3DRD2OPRM1HTR2ADRD4
SCHEMBL4688304 0.79 DRD2 (0.44) DRD3DRD2OPRM1HTR2ADRD4
SCHEMBL4683948 0.79 DRD2 (0.44) DRD3DRD2OPRM1HTR2ADRD4
SCHEMBL4684084 0.79 DRD3 (0.47) DRD3DRD2OPRM1
Hydrochloric Acid SCHEMBL11062974 0.79 DRD2 (0.48) DRD3DRD2DRD4DRD1DRD5
SCHEMBL14102557 0.76 DRD3 (0.44) DRD3DRD2HTR2A
SCHEMBL4689493 0.71 DRD3 (0.51) DRD3DRD2CYP2D6ADRA1A

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 DRD3 2/4885DRD2 1/4885OPRM1 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.