SCHEMBL2160442

SCHEMBL2160442

CC(OC(=O)C1CCN(C(=O)O)C(=O)C1)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
POLB P06746 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
BRD4 O60885 1/20 0.31

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
SCHEMBL15551712 0.77 HRH3 (0.44) MAPTPOLBHRH3
SCHEMBL15387590 0.77 POLB (0.35) POLBHRH3BRD4
SCHEMBL2161827 0.72 POLB (0.43) MAPTPOLB
SCHEMBL5435516 0.72 HRH3 (0.41) MAPTPOLBHRH3
SCHEMBL20585124 0.69 ALDH1A1 (0.41) MAPTPOLB
SCHEMBL12404088 0.68 BRD4 (0.46) BRD4
SCHEMBL6096655 0.68 HRH3 (0.32) HRH3
SCHEMBL22051147 0.67 HSD17B10 (0.47) MAPTPOLB
SCHEMBL28613618 0.67
SCHEMBL28921670 0.67

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-8592590-B2 Tetrahydrotriazolopyridine compounds as selective MGLU5 receptor potentiators useful for the treatment of schizophrenia ELI LILLY AND COMPANY (US) 2013-11-26 US disclosed
EP-2519521-B1 TETRAHYDROTRIAZOLOPYRIDINE COMPOUNDS AS SELECTIVE MGLU5 RECEPTOR POTENTIATORS USEFUL FOR THE TREATMENT OF SCHIZOPHRENIA LILLY CO ELI (US) 2013-11-20 EP disclosed
EP-2519521-A1 TETRAHYDROTRIAZOLOPYRIDINE COMPOUNDS AS SELECTIVE MGLU5 RECEPTOR POTENTIATORS USEFUL FOR THE TREATMENT OF SCHIZOPHRENIA Eli Lilly and Company (US) 2012-11-07 EP disclosed
US-20120252838-A1 TETRAHYDROTRIAZOLOPYRIDINE COMPOUNDS AS SELECTIVE MGLU5 RECEPTOR POTENTIATORS USEFUL FOR THE TREATMENT OF SCHIZOPHRENIA ELI LILLY AND COMPANY (US) 2012-10-04 US disclosed
WO-2011082010-A1 TETRAHYDROTRIAZOLOPYRIDINE COMPOUNDS AS SELECTIVE MGLU5 RECEPTOR POTENTIATORS USEFUL FOR THE TREATMENT OF SCHIZOPHRENIA ELI LILLY AND COMPANY (US) 2011-07-07 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-20120252838-A1 TETRAHYDROTRIAZOLOPYRIDINE COMPOUNDS AS SELECTIVE MGLU5 RECEPTOR POTENTIATORS USEFUL FOR THE TREATMENT OF SCHIZOPHRENIA GRM5, GRM1, GRIK5 MAPT 2271/4885POLB 4275/4885HRH3 64/4885

“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.