SCHEMBL16328043

SCHEMBL16328043

CC(=O)CC[C@@H]1CCCN1C

nearest known ligand 0.89

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CHRNB2 P17787 3/20 0.42
CHRNA7 P36544 3/20 0.42
CHRNA4 P43681 3/20 0.42
CHRNA5 P30532 2/20 0.42
ALDH1A1 P00352 1/20 0.41
ACKR3 P25106 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
SCHEMBL19544406 1.00 CYP1A2 (0.47) CYP1A2CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL19708766 0.85 CYP1A2 (0.47) CYP1A2CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL19544407 0.83 CYP1A2 (0.46) CYP1A2CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL14755874 0.81 CYP1A2 (0.47) CYP1A2ALDH1A1ACKR3
SCHEMBL20050543 0.81 CYP1A2 (0.47) CYP1A2ALDH1A1ACKR3
SCHEMBL22277150 0.80 ACKR3 (0.45) CYP1A2CHRNB2CHRNA7CHRNA4CHRNA5
Hygrine SCHEMBL335690 0.80 CHRNB2 (0.44) CYP1A2CHRNB2CHRNA7CHRNA4CHRNA5
Hygrine SCHEMBL335689 0.80 CHRNB2 (0.44) CYP1A2CHRNB2CHRNA7CHRNA4CHRNA5
Acetic Acid SCHEMBL30330984 0.79 CYP1A2 (0.46) CYP1A2CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL18688759 0.79 CYP1A2 (0.55) CYP1A2CHRNB2CHRNA7CHRNA4CHRNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357654-B2 Multimeric CD40 ligands, method for preparing same and use thereof for preparing drugs CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-01-22 US disclosed
US-20100183642-A1 NOVEL MULTIMERIC CD40 LIGANDS, METHOD FOR PREPARING SAME AND USE THEREOF FOR PREPARING DRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-07-22 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-20100183642-A1 NOVEL MULTIMERIC CD40 LIGANDS, METHOD FOR PREPARING SAME AND USE THEREOF FOR PREPARING DRUGS CD40, CD40LG, TNFSF10 CYP1A2 2434/4885CHRNB2 1570/4885CHRNA7 1236/4885

“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.