SCHEMBL19089215

SCHEMBL19089215

c1cncc(CCCCCC2CCCN2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.50
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TBXAS1 P24557 6/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
CYP2A6 P11509 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 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
SCHEMBL27267830 0.89 CHRNB2 (0.54) CHRNB2CHRNA7CHRNA4CYP2A6HRH3
SCHEMBL2981954 0.80 POLB (0.58) CHRNB2CHRNA7CHRNA4CYP2A6HRH3
Hydrochloric Acid SCHEMBL3552773 0.79 POLB (0.57) CHRNB2CHRNA7CHRNA4CYP2A6HRH3
SCHEMBL17691524 0.78 CHRNB2 (0.54) TDP1L3MBTL1CHRNB2CHRNA7CHRNA4
SCHEMBL8667461 0.76 POLB (0.57)
SCHEMBL10601127 0.76 POLB (0.61) HRH1HRH3SLC6A2SLC6A4
SCHEMBL8658187 0.75 HRH1 (0.81) HRH1TDP1L3MBTL1TBXAS1CHRNA7
SCHEMBL29485667 0.75 HRH1 (0.81) HRH1TDP1L3MBTL1TBXAS1CHRNA7
SCHEMBL29485634 0.75 HRH1 (0.81) HRH1TDP1L3MBTL1TBXAS1CHRNA7
SCHEMBL2845851 0.75 HRH1 (0.81) HRH1TDP1L3MBTL1TBXAS1CHRNA7

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-10610526-B2 Nicotine replacement therapy products comprising synthetic nicotine Next Generation Labs, LLC (US) 2020-04-07 US disclosed
US-20170189388-A1 NICOTINE REPLACEMENT THERAPY PRODUCTS COMPRISING SYNTHETIC NICOTINE PPM INVESTMENT GROUP CORP. 2017-07-06 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 (2 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-20170189388-A1 NICOTINE REPLACEMENT THERAPY PRODUCTS COMPRISING SYNTHETIC NICOTINE NAPRT, NNT, NNMT HRH1 1432/4885TDP1 1481/4885L3MBTL1 4050/4885
US-10610526-B2 Nicotine replacement therapy products comprising synthetic nicotine NAPRT, NNT, NNMT HRH1 1432/4885TDP1 1481/4885L3MBTL1 4050/4885

“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.