SCHEMBL4652501

SCHEMBL4652501

NCc1occc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
CYP2E1 P05181 4/20 0.42
CYP3A4 P08684 4/20 0.42
CYP2A6 P11509 4/20 0.42
CYP2C9 P11712 4/20 0.42
CYP2B6 P20813 4/20 0.42
CYP2C19 P33261 4/20 0.42
CYP2D6 P10635 3/20 0.42
TAAR1 Q96RJ0 1/20 0.40
CSNK2A1 P68400 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2C8 P10632 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NOTUM Q6P988 2/20 0.36
TDO2 P48775 2/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
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
SCHEMBL3718709 0.80 MAPK14 (0.46) TAAR1NOTUMTDO2LOXL2RAB9A
SCHEMBL11780792 0.79 PTGS1 (0.42) DPP4CYP2A6CYP2B6ALDH1A1KDM4E
SCHEMBL8627682 0.78 CALM1 (0.42) ALDH1A1TDO2RAB9ACHRM2CHRM4
SCHEMBL27926900 0.71 TDO2 (0.47) DPP4CYP3A4CYP2A6TAAR1ALDH1A1
SCHEMBL25706171 0.70 CHRM2 (0.51) DPP4CYP2A6ALDH1A1HSD17B10TDO2
SCHEMBL887941 0.69 CHRM2 (0.50) DPP4CYP3A4CYP2A6ALDH1A1KDM4E
SCHEMBL8890659 0.67 CHRM2 (0.38) DPP4CYP2A6ALDH1A1HSD17B10TDO2
SCHEMBL28911831 0.67 ALDH1A1 (0.46) CYP2A6ALDH1A1HSD17B10TDO2TP53
SCHEMBL31412182 0.67 BACE1 (0.48) CYP3A4CYP2A6ALDH1A1KDM4EHSD17B10
SCHEMBL10166444 0.67 NPC1 (0.44) CYP2A6CYP2B6ALDH1A1KDM4EHSD17B10

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 2337/4885CYP2E1 372/4885CYP3A4 533/4885

“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.