SCHEMBL2153141

SCHEMBL2153141

COC(=O)C1CCN=C(SC)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
HIF1A Q16665 1/20 0.32
RAB9A P51151 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
SCHEMBL9373486 0.76 NOS3 (0.46) BRD4TP53CHRNB2CHRNA4CHRNB4
SCHEMBL31295129 0.76 BRD4 (0.39) BRD4TP53KDM4ECHRNB2CHRNA4
Hydrochloric Acid SCHEMBL8308967 0.75 NOS3 (0.44) BRD4TP53
SCHEMBL17338773 0.73 GABRP (0.35) BRD4TP53KDM4ECHRNB2CHRNA4
SCHEMBL17338911 0.73 GABRP (0.35) BRD4TP53KDM4ECHRNB2CHRNA4
SCHEMBL1712752 0.68 TP53 (0.47) BRD4TP53KDM4ECHRNB2CHRNA4
SCHEMBL2415202 0.65
SCHEMBL14608170 0.65 NOS3 (0.34)
SCHEMBL2948892 0.64 TP53 (0.56) BRD4TP53CHRNB2CHRNA4CHRNB4
SCHEMBL244740 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024054919-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (CN) 2024-03-14 WO 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
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
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 BRD4 181/4885TP53 4548/4885KDM4E 1738/4885

“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.