SCHEMBL16787378

SCHEMBL16787378

CCCOc1ncccc1[C@@H]1CCCN1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.46
CHRNA3 P32297 4/20 0.46
CHRNB2 P17787 4/20 0.45
CHRNA4 P43681 4/20 0.45
ALDH1A1 P00352 2/20 0.45
CHRNA7 P36544 2/20 0.45
CHRNA2 Q15822 2/20 0.45
CHRNB1 P11230 2/20 0.45
CHRNB3 Q05901 2/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTR3E A5X5Y0 1/20 0.45
PSIP1 O75475 1/20 0.45
TRPA1 O75762 1/20 0.45
HTR3B O95264 1/20 0.45
CHRNA1 P02708 1/20 0.45
CHRNG P07510 1/20 0.45
MAPT P10636 1/20 0.45
CYP2A6 P11509 1/20 0.45
PTGS1 P23219 1/20 0.45

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
SCHEMBL14836321 0.88 CHRNB4 (0.45) CHRNB4CHRNA3CHRNB2CHRNA4ALDH1A1
SCHEMBL14836320 0.88 CHRNB4 (0.45) CHRNB4CHRNA3CHRNB2CHRNA4ALDH1A1
SCHEMBL20472385 0.83 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4ALDH1A1
SCHEMBL9414384 0.81 CHRNB2 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4ALDH1A1
SCHEMBL9414382 0.81 CHRNB2 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4ALDH1A1
SCHEMBL23487073 0.80 CHRNB2 (0.47) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL29095835 0.79 CHRNB2 (0.45) CHRNB4CHRNA3CHRNB2CHRNA4ALDH1A1
SCHEMBL156222 0.78 CHRNB2 (0.47) CHRNB4CHRNA3CHRNB2CHRNA4ALDH1A1
SCHEMBL9385424 0.78 CHRNB2 (0.44) CHRNB4CHRNA3CHRNB2CHRNA4ALDH1A1
SCHEMBL11273849 0.78 CHRNB2 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4ALDH1A1

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-20150157708-A1 Conjugates for the Prevention or Treatment of Nicotine Addiction PFIZER VACCINES LLC (US) 2015-06-11 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-20150157708-A1 Conjugates for the Prevention or Treatment of Nicotine Addiction CHRNG, CHRND, CHRNA3 CHRNB4 17/4885CHRNA3 3/4885CHRNB2 8/4885

“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.