SCHEMBL8038514

SCHEMBL8038514

CC1C(c2cccnc2)CC2CCCC1N2C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.51
CHRNA6 Q15825 3/20 0.51
CHRNA7 P36544 4/20 0.48
CHRNA4 P43681 4/20 0.48
CHRNA3 P32297 3/20 0.48
ALDH1A1 P00352 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA2 Q15822 2/20 0.46
CYP2A6 P11509 2/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
PSIP1 O75475 1/20 0.46
TRPA1 O75762 1/20 0.46
HTR3B O95264 1/20 0.46
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46
MAPT P10636 1/20 0.46
CHRNB1 P11230 1/20 0.46
PTGS1 P23219 1/20 0.46

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
SCHEMBL8036171 0.84 CHRNB2 (0.66) CHRNB2CHRNA7CHRNA4CHRNA3
SCHEMBL13850676 0.82 CYP2A6 (0.41) CHRNB2CHRNA6CHRNA7CHRNA4CHRNA3
SCHEMBL7210361 0.79 CYP11B2 (0.56) CHRNB2CHRNA6CHRNA7CHRNA4CHRNA3
SCHEMBL7720464 0.79 CYP11B2 (0.56) CHRNB2CHRNA6CHRNA7CHRNA4CHRNA3
SCHEMBL8053285 0.77 TSHR (0.44) ALDH1A1MAPT
SCHEMBL8045006 0.74 SLC6A4 (0.47) CHRNB2CHRNA6CHRNA4
SCHEMBL31406195 0.73 SLC6A2 (0.68)
SCHEMBL6489913 0.72 OPRM1 (0.59) CHRNB2CHRNA6CHRNA7CHRNA4CHRNA3
SCHEMBL6489917 0.72 OPRM1 (0.59) CHRNB2CHRNA6CHRNA7CHRNA4CHRNA3
SCHEMBL13681429 0.71 CYP2A6 (0.53) CHRNB2CHRNA6CHRNA7CHRNA4CHRNA3

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-20090118326-A1 Nicotinic Acetylcholine Receptor Modulators NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-05-07 US disclosed
WO-2009058120-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SRI INTERNATIONAL (US) 2009-05-07 WO 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-20090118326-A1 Nicotinic Acetylcholine Receptor Modulators CHRNA10, CHRNA6, CHRNA5 CHRNB2 12/4885CHRNA6 2/4885CHRNA7 6/4885

“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.