SCHEMBL1986344

SCHEMBL1986344

Clc1ccc(-c2cccc3c4c([nH]c23)CC2CCC4N2)cn1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.51
CHRNA4 P43681 5/20 0.51
CHRNA3 P32297 3/20 0.51
CHRNA7 P36544 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SIGMAR1 Q99720 2/20 0.48
MCHR1 Q99705 1/20 0.38
HTR6 P50406 1/20 0.37
CHRNB4 P30926 1/20 0.33

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
SCHEMBL1986919 0.95 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA3CHRNA7MEN1
SCHEMBL1985022 0.82 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNA7SIGMAR1
SCHEMBL1987185 0.81 SIGMAR1 (0.49) CHRNB2CHRNA3SIGMAR1MCHR1HTR6
SCHEMBL1986267 0.81 SIGMAR1 (0.53) CHRNB2CHRNA4CHRNA3CHRNA7SIGMAR1
SCHEMBL1991565 0.73 MCHR1 (0.40) SIGMAR1MCHR1
Hydrochloric Acid SCHEMBL1987318 0.71 SIGMAR1 (0.59) ALDH1A1HSD17B10SIGMAR1MCHR1HTR6
SCHEMBL1984652 0.69 CHRNB2 (0.38) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL7757337 0.68 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNA7MEN1
SCHEMBL1985618 0.67 SIGMAR1 (0.46) CHRNA7SIGMAR1MCHR1HTR6
SCHEMBL1985617 0.67 SIGMAR1 (0.46) CHRNA7SIGMAR1MCHR1HTR6

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 CHRNB2 549/4885CHRNA4 353/4885CHRNA3 262/4885

“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.