SCHEMBL12650377

SCHEMBL12650377

COC(=O)N1CCC[C@H]1c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
TDP1 Q9NUW8 2/20 0.59
ALDH1A1 P00352 3/20 0.58
CHRNA7 P36544 2/20 0.58
CHRNB2 P17787 2/20 0.58
CHRNB4 P30926 2/20 0.58
CHRNA3 P32297 2/20 0.58
CHRNA4 P43681 2/20 0.58
CHRNA2 Q15822 2/20 0.58
MAPT P10636 2/20 0.58
HTR3E A5X5Y0 1/20 0.58
PSIP1 O75475 1/20 0.58
TRPA1 O75762 1/20 0.58
HTR3B O95264 1/20 0.58
CHRNA1 P02708 1/20 0.58
CHRNG P07510 1/20 0.58
CHRNB1 P11230 1/20 0.58
CYP2A6 P11509 1/20 0.58
PTGS1 P23219 1/20 0.58
CHRNA5 P30532 1/20 0.58

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
SCHEMBL29423020 1.00 LMNA (0.62) LMNATDP1ALDH1A1CHRNA7CHRNB2
SCHEMBL5300891 0.96 LMNA (0.67) LMNATDP1ALDH1A1CHRNA7CHRNB2
SCHEMBL14883447 0.87 ALDH1A1 (0.60) LMNATDP1ALDH1A1CHRNA7CHRNB2
SCHEMBL30148091 0.87 ALDH1A1 (0.56) LMNATDP1ALDH1A1CHRNA7CHRNB2
SCHEMBL23992271 0.87 ALDH1A1 (0.56) LMNATDP1ALDH1A1CHRNA7CHRNB2
SCHEMBL24114777 0.87 ALDH1A1 (0.56) LMNATDP1ALDH1A1CHRNA7CHRNB2
SCHEMBL30350219 0.85 ALDH1A1 (0.62) LMNATDP1ALDH1A1CHRNA7CHRNB2
SCHEMBL20164005 0.84 LMNA (0.59) LMNATDP1ALDH1A1CHRNA7CHRNB2
SCHEMBL30487081 0.84 LMNA (0.59) LMNATDP1ALDH1A1CHRNA7CHRNB2
SCHEMBL8575615 0.84 LMNA (0.59) LMNATDP1ALDH1A1CHRNA7CHRNB2

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-20110112130-A1 Opioid-Nornicotine Codrugs Combinations for Pain Management UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-05-12 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-20110112130-A1 Opioid-Nornicotine Codrugs Combinations for Pain Management OPRM1, OPRL1, OPRK1 LMNA 4768/4885TDP1 2804/4885ALDH1A1 641/4885

“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.