SCHEMBL1477331

SCHEMBL1477331

CCOC(=O)NCc1cncc(C#Cc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.47
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 2/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
EPHX1 P07099 1/20 0.42
ALOX15 P16050 1/20 0.41
HDAC1 Q13547 1/20 0.41
EGLN1 Q9GZT9 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPID Q08752 1/20 0.40
GAA P10253 1/20 0.40

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
Hydrochloric Acid SCHEMBL1477328 0.99 PTGES (0.47) PTGESTSHRSMN1; SMN2KDM4EGLA
SCHEMBL1476025 0.80 MAPT (0.51) SMN1; SMN2KDM4EGLAPOLBALOX15
SCHEMBL834845 0.76 CYP2C9 (0.60) TSHRSMN1; SMN2POLBCYP2C19
SCHEMBL5667090 0.76 ALDH1A1 (0.53) PTGESEGLN1
SCHEMBL423344 0.75 PPID (0.64) TSHRSMN1; SMN2KDM4EALOX15HDAC1
Benzene SCHEMBL8878788 0.75 PPID (0.64) TSHRSMN1; SMN2KDM4EALOX15HDAC1
Hydrochloric Acid SCHEMBL1477162 0.74 ALDH1A1 (0.51) PTGESEGLN1
SCHEMBL10654212 0.73 KMT2A (0.62) TSHRPOLBEPHX1HDAC1GAA
SCHEMBL26814076 0.73 NAMPT (0.42) SMN1; SMN2EPHX1HDAC1
Pyridine SCHEMBL8863352 0.73 EPHX1 (0.60) TSHRPOLBEPHX1HDAC1CYP1A2

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 PTGES 2450/4885TSHR 403/4885SMN1; SMN2 2115/4885

“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.