SCHEMBL4652811

SCHEMBL4652811

NCc1cocc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.57
TAAR1 Q96RJ0 1/20 0.40
CSNK2A1 P68400 2/20 0.39
CYP2E1 P05181 4/20 0.38
CYP3A4 P08684 4/20 0.38
CYP2A6 P11509 4/20 0.38
CYP2C9 P11712 4/20 0.38
CYP2B6 P20813 4/20 0.38
CYP2C19 P33261 4/20 0.38
CYP2D6 P10635 3/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NOTUM Q6P988 2/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
PNMT P11086 1/20 0.35
ESR1 P03372 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL4652625 0.81 PDCD1 (0.52) DPP4PDCD1CD274ALDH1A1HSD17B10
SCHEMBL5536112 0.79 DPP4 (0.38) DPP4CYP2A6PDCD1CD274ALDH1A1
SCHEMBL10615231 0.77 ESR1 (0.55) DPP4CYP2A6CYP2B6PDCD1CD274
SCHEMBL5546573 0.76 DPP4 (0.35) DPP4CYP2A6PDCD1CD274ALDH1A1
SCHEMBL5546542 0.73 DPP4 (0.33) DPP4PDCD1CD274ESR1
SCHEMBL29872374 0.73 DPP4 (1.00) DPP4TAAR1CSNK2A1CYP2A6PDCD1
SCHEMBL469051 0.73 DPP4 (1.00) DPP4TAAR1CSNK2A1CYP2A6PDCD1
SCHEMBL5536520 0.72 PDCD1 (0.33) DPP4PDCD1CD274ESR1
Hydrochloric Acid SCHEMBL4776720 0.71 DPP4 (0.95) DPP4TAAR1CSNK2A1CYP2A6PDCD1
SCHEMBL29009111 0.71

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644320-B1 INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed
US-7265246-B2 Indane derivates as muscarinic receptor agonists ELI LILLY AND COMPANY (US) 2007-09-04 US disclosed
US-20070060587-A1 Indane derivates as muscarinic receptor agonists ELI LILLY AND COMPANY (US) 2007-03-15 US disclosed
EP-1644320-A1 INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-04-12 EP disclosed
WO-2005009941-A1 INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-02-03 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-20070060587-A1 Indane derivates as muscarinic receptor agonists CHRM1, CHRM3, CHRM2 DPP4 2337/4885TAAR1 46/4885CSNK2A1 1803/4885

“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.