SCHEMBL22221069

SCHEMBL22221069

CSC1COc2ccccc2O1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.44
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
POLB P06746 1/20 0.41
ESR2 Q92731 1/20 0.41
MTNR1A P48039 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LTA4H P09960 1/20 0.41
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL12401665 0.77 NISCH (0.48) NISCHCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL14543303 0.77 NISCH (0.48) NISCHCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL8347684 0.77 NISCH (0.48) NISCHCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL266615 0.77 NISCH (0.48) NISCHCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL28474359 0.73 NISCH (0.46) NISCHPOLBESR2MTNR1ALTA4H
SCHEMBL1079302 0.72 NISCH (0.48) NISCHCHRNB4CHRNA3TDP1KMT2A
SCHEMBL1567701 0.70 NISCH (0.50) NISCHCHRNB4CHRNA3TDP1KMT2A
SCHEMBL28894086 0.69 POLB (0.46) NISCHCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3809469 0.69 POLB (0.46) NISCHCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL15127606 0.69 ABCG2 (0.50) NISCHCHRNB4CHRNA3CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2020-07-16 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-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC NISCH 305/4885CHRNB4 221/4885CHRNA3 155/4885

“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.