SCHEMBL1992941

SCHEMBL1992941

c1cncc(-c2cccc3c4c([nH]c23)C2CCN(CC2)C4)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.45
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
ADRA2A P08913 2/20 0.37
ADRA1A P35348 2/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ADRA1D P25100 1/20 0.36
ADRA1B P35368 1/20 0.36
DHPS P49366 1/20 0.36
USP30 Q70CQ3 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
SCHEMBL15876224 0.78 PPARG (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1992322 0.78 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4CYP11B1
SCHEMBL1993576 0.78 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1992319 0.78 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4CYP11B1
SCHEMBL1990165 0.77 PDGFRB (0.42)
SCHEMBL1991067 0.71 BRD4 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1991068 0.71 BRD4 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1991176 0.70 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1989869 0.70 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1989873 0.70 CHRNB2 (0.37) 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 HPGDS 1056/4885CHRM2 24/4885CHRM4 133/4885

“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.