SCHEMBL8056047

SCHEMBL8056047

C1=C(c2cnc3ccccc3c2)CC2CC1N(Cc1ccccc1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.42
CHRNB4 P30926 5/20 0.42
CHRNA3 P32297 5/20 0.42
CHRNA7 P36544 5/20 0.42
CHRNA4 P43681 5/20 0.42
PDGFRB P09619 2/20 0.36
PDGFRA P16234 2/20 0.36
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
CYP2A6 P11509 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
BIRC5 O15392 1/20 0.34

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
SCHEMBL13849999 0.80 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6488330 0.68 SLC6A2 (0.57) CHRNB2CHRNB4CHRNA3PDGFRBPDGFRA
SCHEMBL6488329 0.68 SLC6A2 (0.57) CHRNB2CHRNB4CHRNA3PDGFRBPDGFRA
SCHEMBL13850008 0.66 SLC6A2 (0.49) CHRNB2CHRNB4CHRNA3PDGFRBPDGFRA
SCHEMBL7209977 0.66 SLC6A2 (0.49) CHRNB2CHRNB4CHRNA3PDGFRBPDGFRA
SCHEMBL5620580 0.63 DPP4 (0.41) KDM1AMAOAMAOB
SCHEMBL32667946 0.63 PDGFRB (0.77) PDGFRBPDGFRAPIK3CAMTORCYP2A6
SCHEMBL2772360 0.63 PDGFRB (0.77) PDGFRBPDGFRAPIK3CAMTORCYP2A6
SCHEMBL708999 0.61 PDGFRB (0.75) PDGFRBPDGFRAPIK3CAMTORCYP2A6
SCHEMBL24621829 0.60 PDGFRB (0.72) PDGFRBPDGFRAPIK3CAMTORCYP2A6

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 3 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
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 12/4885CHRNB4 17/4885CHRNA3 10/4885

“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.