SCHEMBL7782495

SCHEMBL7782495

CCCNOc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.51
CHRNA4 P43681 5/20 0.51
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
FAAH O00519 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
SCHEMBL1033246 0.77 HTR1B (0.42) KMT2A
SCHEMBL16661732 0.75
Fluoride SCHEMBL27524402 0.75 HTR1B (0.41) KMT2A
SCHEMBL22100463 0.74 LMNA (0.54) CHRNB2CHRNA4LMNATDP1CYP3A4
SCHEMBL4671885 0.74 MAPK1 (0.49) CHRNB2CHRNA4LMNATDP1CYP2D6
SCHEMBL7104126 0.73 CHRNB2 (0.67) CHRNB2CHRNA4LMNACYP3A4CYP2D6
SCHEMBL18812368 0.73 CYP19A1 (0.67) LMNACYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL30338591 0.72 CHRNB2 (0.68) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
SCHEMBL171896 0.72 CHRNB2 (0.68) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
SCHEMBL434891 0.71

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-20010014691-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. 2001-08-16 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-20010014691-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE PNMT, HNMT, CHRM3 CHRNB2 32/4885CHRNA4 34/4885LMNA 1546/4885

“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.