SCHEMBL1476025

SCHEMBL1476025

CCOC(=O)Nc1cncc(C#Cc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 2/20 0.51
HSD17B10 Q99714 2/20 0.51
RAB9A P51151 5/20 0.49
NPC1 O15118 3/20 0.49
HPGD P15428 2/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
KDM4E B2RXH2 2/20 0.48
GLA P06280 1/20 0.48
POLB P06746 1/20 0.48
TNF P01375 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44

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
SCHEMBL1477661 0.87 GRM5 (0.47) MAPTLMNAMAPK1HSD17B10RAB9A
SCHEMBL1477416 0.84 GRM5 (0.51) MAPTLMNAMAPK1HSD17B10POLB
SCHEMBL1479189 0.82 MAPT (0.49) MAPT
SCHEMBL1477198 0.81 MAPT (0.55) MAPTHSD17B10RAB9ANPC1HPGD
SCHEMBL3310873 0.80 KDM4E (0.56) MAPTLMNAMAPK1HSD17B10RAB9A
SCHEMBL1477331 0.80 PTGES (0.47) KDM4EGLAPOLBCYP1A2ALOX15
Hydrochloric Acid SCHEMBL1477328 0.79 PTGES (0.47) KDM4EGLAPOLBCYP1A2ALOX15
SCHEMBL834845 0.77 CYP2C9 (0.60) MAPTLMNAHSD17B10RAB9ANPC1
SCHEMBL17199511 0.76 KDM4E (0.51) MAPTLMNAMAPK1HSD17B10RAB9A
SCHEMBL29428097 0.75 CYP2C9 (0.60) MAPTLMNAMAPK1HSD17B10RAB9A

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
US-7915424-B2 Analgesics; anxiolytic agents ELI LILLY AND COMPANY (US) 2011-03-29 US disclosed
EP-1729771-B1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-14 EP disclosed
US-20080194647-A1 Pyridyl Derivatives and Their Use as Mglu5 Antagonists ELI LILLY AND COMPANY (US) 2008-08-14 US disclosed
EP-1729771-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2006-12-13 EP disclosed
WO-2005094822-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-13 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-20080194647-A1 Pyridyl Derivatives and Their Use as Mglu5 Antagonists HRH4, CNR2, CNR1 MAPT 3882/4885LMNA 3857/4885MAPK1 2253/4885

“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.