SCHEMBL1992105

SCHEMBL1992105

CC(=O)N1C2CCC1c1c([nH]c3ccc(Br)cc13)C2

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.47
BAZ2B Q9UIF8 2/20 0.46
SIGMAR1 Q99720 9/20 0.46
SIRT1 Q96EB6 1/20 0.44

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
SCHEMBL1985805 0.88 SIGMAR1 (0.44) MCHR1BAZ2BSIGMAR1SIRT1
SCHEMBL12626743 0.86 CDK1 (0.47) MCHR1BAZ2BSIGMAR1SIRT1
SCHEMBL1988850 0.83 SIGMAR1 (0.67) SIGMAR1
SCHEMBL155100 0.77 MCHR1 (0.44) MCHR1SIGMAR1
SCHEMBL23828240 0.74 CFTR (0.41) MCHR1SIGMAR1
SCHEMBL31020946 0.74 CFTR (0.41) MCHR1SIGMAR1
SCHEMBL22000226 0.73 SIGMAR1 (0.55) SIGMAR1
SCHEMBL23828227 0.70 SIGMAR1 (0.47) SIGMAR1
SCHEMBL2810909 0.69 SIGMAR1 (0.60) SIGMAR1
SCHEMBL2813580 0.69 SIGMAR1 (0.68) 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 2 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 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 591/4885BAZ2B 266/4885SIGMAR1 2033/4885

“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.