SCHEMBL496243

SCHEMBL496243

N[C@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H]1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
CSNK1E P49674 1/20 0.40
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
FAP Q12884 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHX2 P34913 2/20 0.39
TACR1 P25103 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL496245 1.00 F2 (0.40) F2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL496923 1.00 F2 (0.40) F2CHRNB2CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL495938 0.99 F2 (0.41) F2CHRNB2CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL495939 0.99 F2 (0.41) F2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL496637 0.92 L3MBTL1 (0.49) MEN1KMT2AL3MBTL1
SCHEMBL496636 0.92 L3MBTL1 (0.49) MEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL495749 0.91 L3MBTL1 (0.48) F2MEN1KMT2AL3MBTL1
SCHEMBL496353 0.82 SPHK2 (0.45) MEN1KMT2A
SCHEMBL4696097 0.81 ACE (0.51) F2DPP4DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL496784 0.81 SPHK2 (0.44) F2MEN1KMT2A

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
EP-1910317-B1 1-AMINO LINKED COMPOUNDS LILLY CO ELI (US) 2013-07-03 EP disclosed
US-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 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-20080207735-A1 1-Amino Linked Compounds DPP4, DPP3, DPP9 F2 3381/4885CHRNB2 2140/4885CHRNB4 1026/4885

“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.