SCHEMBL1986346

SCHEMBL1986346

CC(=O)N1C2CCC1c1c([nH]c3c(-c4cnc5ccccc5c4)cccc13)C2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.44
MCHR1 Q99705 1/20 0.41
BRD4 O60885 2/20 0.39
CREBBP Q92793 2/20 0.39
AKT1 P31749 2/20 0.39
MTOR P42345 2/20 0.39
MAP4K4 O95819 1/20 0.38
CSNK1G2 P78368 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
MAP4K5 Q9Y4K4 1/20 0.38
HSP90AA1 P07900 7/20 0.38
SIGMAR1 Q99720 2/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 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
SCHEMBL1987193 0.91 PIK3CA (0.42) PIK3CABRD4CREBBPAKT1MTOR
SCHEMBL1987756 0.89 MCHR1 (0.39) MCHR1
SCHEMBL1987279 0.86 SIGMAR1 (0.52) PIK3CABRD4CREBBPSIGMAR1PDGFRB
SCHEMBL1986131 0.80 MGLL (0.37)
SCHEMBL1987185 0.75 SIGMAR1 (0.49) MCHR1BRD4CREBBPHSP90AA1SIGMAR1
SCHEMBL1985449 0.71 SIGMAR1 (0.53) SIGMAR1
SCHEMBL1990165 0.67 PDGFRB (0.42) PIK3CABRD4CREBBPHSP90AA1PDGFRB
SCHEMBL27833818 0.66 PDGFRB (0.60) BRD4CREBBPPDGFRBPDGFRA
SCHEMBL1987079 0.64 SIGMAR1 (0.57) MCHR1SIGMAR1
SCHEMBL1988736 0.63 SIGMAR1 (0.42) MCHR1SIGMAR1

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
US-8778959-B2 AZA-bridged ring-fused indoles and indolines ABBVIE INC. (US) 2014-07-15 US claimed
US-20110152306-A1 AZA-BRIDGED RING-FUSED INDOLES AND INDOLINES ABBOTT LABORATORIES (US) 2011-06-23 US claimed
US-8778959-B2 AZA-bridged ring-fused indoles and indolines ABBVIE INC. (US) 2014-07-15 US disclosed
US-20110152306-A1 AZA-BRIDGED RING-FUSED INDOLES AND INDOLINES ABBOTT LABORATORIES (US) 2011-06-23 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-20110152306-A1 AZA-BRIDGED RING-FUSED INDOLES AND INDOLINES INMT, IDO1, IDO2 PIK3CA 2938/4885MCHR1 591/4885BRD4 94/4885

“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.