SCHEMBL4552972

SCHEMBL4552972

c1ccc(C2CCN2c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
MAPT P10636 3/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RIPK1 Q13546 2/20 0.43
USP30 Q70CQ3 1/20 0.41
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
GRIN2B Q13224 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RECQL P46063 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 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
SCHEMBL3011993 0.88 CHRNB2 (0.58) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5530018 0.88 CHRNB2 (0.58) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1077622 0.86 CHRNB2 (0.52) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28866229 0.86 CHRNB2 (0.56) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL6962021 0.84 CHRNB2 (0.50) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
Methyl Alcohol SCHEMBL23748591 0.83 CHRNB2 (0.58) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL28604180 0.83 CHRNB2 (0.49) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1945712 0.81 SIGMAR1 (0.48) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14443093 0.81 MEN1 (0.42) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14443101 0.81 CFB (0.40) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2800738-B1 HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE NOVARTIS AG (CH) 2020-04-08 EP disclosed
US-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2009-07-23 US disclosed
WO-2006102674-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-09-28 WO 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-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS NPC1L1, CYP46A1, NPC1 CHRNA7 4640/4885CHRNB2 4627/4885CHRNB4 4823/4885

“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.