SCHEMBL4084781

SCHEMBL4084781

C[C@@H]1CC[C@H](C)N1CCO

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.33
PHGDH O43175 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL12371257 1.00 OPRM1 (0.33) OPRM1PHGDHHRH3HRH2HRH1
SCHEMBL4088693 0.90 LTA4H (0.38) HRH3HRH2HRH1
SCHEMBL4079655 0.90 LTA4H (0.38) HRH3HRH2HRH1
SCHEMBL8237729 0.90 LTA4H (0.38) HRH3HRH2HRH1
SCHEMBL24114570 0.84 HRH3 (0.37) HRH3HRH2HRH1
SCHEMBL5723633 0.84 HRH3 (0.37) HRH3HRH2HRH1
SCHEMBL23828684 0.82 HRH3 (0.35) PHGDHHRH3HRH2HRH1
SCHEMBL5789637 0.79 CYP1A2 (0.35) HRH3
SCHEMBL10867797 0.79 ACHE (0.45)
SCHEMBL9640541 0.77 MAPK1 (0.43) MAPK1

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-2065383-A1 Indazole compounds and methods of use thereof as protein kinase inhibitors Signal Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 US disclosed
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 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 (2 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-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 OPRM1 2856/4885PHGDH 3238/4885HRH3 2504/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 OPRM1 2940/4885PHGDH 3153/4885HRH3 2769/4885

“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.