SCHEMBL1993576

SCHEMBL1993576

C(#Cc1cccc2c3c([nH]c12)C1CCN(CC1)C3)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
PTGES O14684 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
PIK3CA P42336 2/20 0.36
PDK1 Q15118 1/20 0.36
MTOR P42345 1/20 0.35
PDE4B Q07343 1/20 0.33
PDE7A Q13946 1/20 0.33
GRM5 P41594 6/20 0.33
KCNH2 Q12809 1/20 0.32
CYP2A6 P11509 1/20 0.32
GRM4 Q14833 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
SCHEMBL1994483 0.85 PIK3CA (0.34) PIK3CAMTORGRM5CYP2A6
SCHEMBL1992941 0.78 HPGDS (0.45) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1987034 0.77 HTR6 (0.47) PTGESAAK1PIK3CAPDK1GRM5
SCHEMBL1994543 0.76 HTR6 (0.33)
SCHEMBL1992322 0.74 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1992319 0.74 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1993611 0.72 CHRM4 (0.34) PIK3CAMTORGRM5
SCHEMBL1991893 0.71 CDK4 (0.36)
SCHEMBL15876224 0.68 PPARG (0.37) MTOR
SCHEMBL1991068 0.68 BRD4 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516440-B1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES USEFUL TO TREAT NEURODEGENERATIVE AND NEUROPSYCHIATRIC DISORDERS ABBVIE INC (US) 2014-07-23 EP claimed
US-8524703-B2 Bridgehead amine ring-fused indoles and indolines ABBVIE INC. (US) 2013-09-03 US claimed
US-20110152248-A1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES ABBOTT LABORATORIES (US) 2011-06-23 US claimed
EP-2516440-B1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES USEFUL TO TREAT NEURODEGENERATIVE AND NEUROPSYCHIATRIC DISORDERS ABBVIE INC (US) 2014-07-23 EP disclosed
US-8524703-B2 Bridgehead amine ring-fused indoles and indolines ABBVIE INC. (US) 2013-09-03 US disclosed
US-20110152248-A1 BRIDGEHEAD AMINE 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-20110152248-A1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES IDO2, IDO1, TPH2 CHRNB2 522/4885CHRNB4 815/4885CHRNA3 351/4885

“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.