SCHEMBL13849999

SCHEMBL13849999

C1=C(c2cnc3ccccc3c2)CC2CC1CN2Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA7 P36544 2/20 0.40
CHRNA4 P43681 2/20 0.40
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
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
PDE10A Q9Y233 1/20 0.35
CYP2A6 P11509 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A4 P31645 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
SCHEMBL8056047 0.80 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13849972 0.77 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13850677 0.69 SLC6A4 (0.46) CHRNB2CHRNA4KDM1AMAOAMAOB
SCHEMBL6488330 0.68 SLC6A2 (0.57) CHRNB2CHRNB4CHRNA3PDGFRBPDGFRA
SCHEMBL6488329 0.68 SLC6A2 (0.57) CHRNB2CHRNB4CHRNA3PDGFRBPDGFRA
SCHEMBL7209977 0.66 SLC6A2 (0.49) CHRNB2CHRNB4CHRNA3PIK3CAMTOR
SCHEMBL13850008 0.66 SLC6A2 (0.49) CHRNB2CHRNB4CHRNA3PIK3CAMTOR
SCHEMBL5620580 0.63 DPP4 (0.41) KDM1AMAOAMAOB
SCHEMBL2772360 0.63 PDGFRB (0.77) PIK3CAMTORPDGFRBPDGFRACYP2A6
SCHEMBL32667946 0.63 PDGFRB (0.77) PIK3CAMTORPDGFRBPDGFRACYP2A6

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-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

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.