SCHEMBL720699

SCHEMBL720699

Cn1c(=O)[nH]c2cc3c(cc21)CCNCC3

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
DAO P14920 1/20 0.49
HTR2C P28335 2/20 0.41
PGR P06401 2/20 0.39
CYP3A4 P08684 3/20 0.37
HTR6 P50406 3/20 0.37
ADCY6 O43306 1/20 0.37
ADCY3 O60266 1/20 0.37
ADCY9 O60503 1/20 0.37
ADCY5 O95622 1/20 0.37
ADCY8 P40145 1/20 0.37
ADCY7 P51828 1/20 0.37
ADCY2 Q08462 1/20 0.37
ADCY1 Q08828 1/20 0.37
ADCY4 Q8NFM4 1/20 0.37
MEN1 O00255 1/20 0.36
PABPC1 P11940 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36

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
SCHEMBL720104 0.85 LMNA (0.53) LMNADAOPGRMEN1PABPC1
SCHEMBL718761 0.74 LMNA (0.54) LMNADAOHTR2CPGRCYP3A4
SCHEMBL31276413 0.73 LMNA (0.47) LMNADAOPGRMEN1PABPC1
SCHEMBL721458 0.70 GRIN2D (0.50) DAOHTR2CADCY6ADCY3ADCY9
SCHEMBL6651292 0.69 LMNA (0.59) LMNADAOPGRMEN1PABPC1
SCHEMBL15730579 0.69 GRIA1 (0.68) LMNAPGRCYP3A4MEN1PABPC1
SCHEMBL22526414 0.69 ADRB1 (0.47) LMNAHTR2CPGRCYP3A4HTR6
SCHEMBL23442936 0.68 LMNA (0.45) LMNAHTR2CPGRMAOB
SCHEMBL30273957 0.68 LMNA (0.45) LMNAHTR2CPGRMAOB
SCHEMBL13015581 0.67 LMNA (0.56) LMNAPGRKMT2AGRIN2DGRIN3B

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-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2012-03-01 US claimed
US-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2012-03-01 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-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA2, CHRNA5, CHRNA10 LMNA 1768/4885DAO 2062/4885HTR2C 253/4885

“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.