SCHEMBL1985805

SCHEMBL1985805

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.44
SIRT1 Q96EB6 1/20 0.42
USP2 O75604 2/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
CTNNB1 P35222 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
BAZ2B Q9UIF8 2/20 0.40
MCHR1 Q99705 1/20 0.40
CDK1 P06493 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL12626743 0.89 CDK1 (0.47) SIGMAR1SIRT1USP2TP53TSHR
SCHEMBL1992105 0.88 MCHR1 (0.47) SIGMAR1SIRT1BAZ2BMCHR1
SCHEMBL155100 0.81 MCHR1 (0.44) SIGMAR1TSHRCYP1A2CYP2D6MCHR1
SCHEMBL1988850 0.80 SIGMAR1 (0.67) SIGMAR1
SCHEMBL156880 0.77 MCHR1 (0.46) SIGMAR1MCHR1
SCHEMBL22000226 0.77 SIGMAR1 (0.55) SIGMAR1
SCHEMBL2810909 0.73 SIGMAR1 (0.60) SIGMAR1
SCHEMBL23828240 0.72 CFTR (0.41) SIGMAR1MCHR1
SCHEMBL31020946 0.72 CFTR (0.41) SIGMAR1MCHR1
SCHEMBL2815558 0.69 SIGMAR1 (0.64) SIGMAR1USP2TSHRCYP1A2CYP2D6

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 SIGMAR1 2033/4885SIRT1 589/4885USP2 3613/4885

“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.