SCHEMBL8045006

SCHEMBL8045006

CC1C(c2cnc3ccccc3c2)CC2CCCC1N2C

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.47
CHRNB2 P17787 3/20 0.45
CHRNA6 Q15825 2/20 0.45
CHRNA4 P43681 1/20 0.42

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
SCHEMBL8038514 0.74 CHRNB2 (0.51) CHRNB2CHRNA6CHRNA4
SCHEMBL17147930 0.72 SLC6A4 (0.53) SLC6A4
SCHEMBL19606347 0.70 PSMB5 (0.57) SLC6A4CHRNB2CHRNA4
SCHEMBL25005282 0.70 SLC6A4 (0.57) SLC6A4
SCHEMBL13850677 0.70 SLC6A4 (0.46) SLC6A4CHRNB2CHRNA4
SCHEMBL3384597 0.69 HTR3A (0.58) CHRNB2CHRNA4
SCHEMBL31406195 0.68 SLC6A2 (0.68) SLC6A4
SCHEMBL9456721 0.67 HTR3A (0.56) SLC6A4
SCHEMBL3088721 0.67 PSMB5 (0.61) SLC6A4
SCHEMBL9200137 0.67 HTR3E (0.57) CHRNB2CHRNA4

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 SLC6A4 1198/4885CHRNB2 12/4885CHRNA6 2/4885

“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.