SCHEMBL14440474

SCHEMBL14440474

CN1CC2CC(C1)c1nccnc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
CHRNA1 P02708 1/20 0.31
ESR1 P03372 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA5 P30532 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTR3A P46098 1/20 0.31
CHRND Q07001 1/20 0.31
CHRNA2 Q15822 1/20 0.31
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL14440476 1.00 CHRNB4 (0.31) CHRNB4CHRNA3CHRNA1ESR1CHRNG
SCHEMBL7698489 0.77 PDE10A (0.31) PDE10A
SCHEMBL2741393 0.75 CHRNB2 (0.56) CHRNB4CHRNA3CHRNA1ESR1CHRNG
SCHEMBL13561410 0.75 CHRNB2 (0.56) CHRNB4CHRNA3CHRNA1ESR1CHRNG
SCHEMBL14003843 0.75 CHRNB2 (0.56) CHRNB4CHRNA3CHRNA1ESR1CHRNG
SCHEMBL3831037 0.70 CHRNB2 (0.40) CHRNB4CHRNA3CHRNB2CHRNA7CHRNA4
SCHEMBL14002204 0.70
SCHEMBL13075977 0.70 OPRM1 (0.36) HTR3A
Hydrochloric Acid SCHEMBL4819236 0.69 CHRNB2 (0.39) CHRNB4CHRNA3CHRNB2CHRNA7CHRNA4
SCHEMBL18136226 0.69 KAT2B (0.38) HTR3APDE10A

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-20070185327-A1 Preparation of substituted quinoxalines PFIZER INC 2007-08-09 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-20070185327-A1 Preparation of substituted quinoxalines QDPR, DDT, NQO2 CHRNB4 442/4885CHRNA3 116/4885CHRNA1 465/4885

“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.