SCHEMBL1987756

SCHEMBL1987756

CC(=O)N1C2CCC1c1c([nH]c3c(-c4ccc5ncccc5c4)cccc13)C2

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.39
MGLL Q99685 14/20 0.38
GSK3B P49841 1/20 0.37
KDM1A O60341 1/20 0.36
SYK P43405 1/20 0.36
ACVR1 Q04771 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
SCHEMBL1986131 0.91 MGLL (0.37) MGLLGSK3BKDM1ASYK
SCHEMBL1986346 0.89 PIK3CA (0.44) MCHR1
SCHEMBL1987193 0.80 PIK3CA (0.42)
SCHEMBL1987279 0.75 SIGMAR1 (0.52)
SCHEMBL1985449 0.70 SIGMAR1 (0.53)
SCHEMBL1996166 0.68 NPC1 (0.40) GSK3BACVR1
SCHEMBL1987079 0.65 SIGMAR1 (0.57) MCHR1
SCHEMBL1987185 0.62 SIGMAR1 (0.49) MCHR1
SCHEMBL1988736 0.62 SIGMAR1 (0.42) MCHR1
SCHEMBL4632539 0.62 POLB (0.65) GSK3BACVR1

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 MCHR1 591/4885MGLL 3996/4885GSK3B 1568/4885

“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.