SCHEMBL5048101

SCHEMBL5048101

c1cc(C2CCCc3ccncc32)ccn1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.55
CHRNA4 P43681 2/20 0.55
CYP17A1 P05093 6/20 0.52
CYP3A4 P08684 5/20 0.52
CYP11B2 P19099 5/20 0.52
CYP11B1 P15538 3/20 0.51
SIGMAR1 Q99720 1/20 0.46
CHRNA7 P36544 1/20 0.44
CYP19A1 P11511 2/20 0.41
IGF1R P08069 1/20 0.41
ALOX15 P16050 1/20 0.41
FDPS P14324 1/20 0.40
GID4 Q8IVV7 1/20 0.39

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
SCHEMBL5132733 0.84 CHRNB2 (0.47) CHRNB2CHRNA4CYP17A1CYP3A4CYP11B2
SCHEMBL20874477 0.83 GID4 (0.56) CYP17A1CYP3A4CYP11B2CYP11B1CYP19A1
SCHEMBL15495498 0.75 CHRNB2 (0.58) CHRNB2CHRNA4CYP3A4SIGMAR1CHRNA7
SCHEMBL12993347 0.75 CHRNB2 (0.58) CHRNB2CHRNA4CYP11B2CYP11B1SIGMAR1
SCHEMBL30557113 0.75 CHRNB2 (0.63) CHRNB2CHRNA4CYP3A4SIGMAR1CHRNA7
SCHEMBL23756600 0.75 CHRNB2 (0.58) CHRNB2CHRNA4CYP11B2CYP11B1SIGMAR1
SCHEMBL2669664 0.75 CHRNB2 (0.58) CHRNB2CHRNA4CYP11B2CYP11B1SIGMAR1
SCHEMBL7258173 0.75 CHRNB2 (0.58) CHRNB2CHRNA4CYP3A4CYP11B2CYP11B1
SCHEMBL16363087 0.75 CHRNB2 (0.58) CHRNB2CHRNA4CYP3A4CYP11B2CYP11B1
SCHEMBL12891530 0.75 CHRNB2 (0.63) CHRNB2CHRNA4SIGMAR1CHRNA7FDPS

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-20080076784-A1 Bicyclic, Nitrogen-Containing Heterocycles and Aromatase Inhibitors NOVARTIS AG (CH) 2008-03-27 US claimed

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-20080076784-A1 Bicyclic, Nitrogen-Containing Heterocycles and Aromatase Inhibitors CYP19A1, NR5A1, HSD17B11 CHRNB2 2127/4885CHRNA4 2380/4885CYP17A1 4/4885

“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.