SCHEMBL26023948

SCHEMBL26023948

Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.79
CYP2C9 P11712 6/20 0.75
CYP2C19 P33261 6/20 0.75
CYP3A4 P08684 4/20 0.75
KCNH2 Q12809 4/20 0.75
CYP1A2 P05177 4/20 0.75
CYP2D6 P10635 2/20 0.75
ERG P11308 1/20 0.75
TACR2 P21452 2/20 0.68
TACR1 P25103 1/20 0.67

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
SCHEMBL26189926 0.90 TACR3 (0.72) TACR3CYP2C9CYP2C19CYP3A4KCNH2
SCHEMBL25224258 0.88 TACR3 (0.69) TACR3CYP2C9CYP2C19CYP3A4KCNH2
SCHEMBL25607405 0.88 TACR3 (0.69) TACR3CYP2C9CYP2C19CYP3A4KCNH2
SCHEMBL30627854 0.88 TACR3 (0.72) TACR3CYP2C9CYP2C19CYP3A4KCNH2
SCHEMBL30627850 0.88 TACR3 (0.72) TACR3CYP2C9CYP2C19CYP3A4KCNH2
SCHEMBL16048688 0.88 TACR3 (1.00) TACR3CYP2C9CYP2C19CYP3A4KCNH2
SCHEMBL14850765 0.88 TACR3 (1.00) TACR3CYP2C9CYP2C19CYP3A4KCNH2
SCHEMBL26189922 0.88 TACR3 (0.69) TACR3CYP2C9CYP2C19CYP3A4KCNH2
SCHEMBL2551146 0.87 TACR3 (0.86) TACR3CYP2C9CYP2C19CYP3A4KCNH2
SCHEMBL2551144 0.87 TACR3 (0.86) TACR3CYP2C9CYP2C19CYP3A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731974-B2 N-acyl-(3-substituted)-(8-substituted)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazines as selective NK-3 receptor antagonists OGEDA SA (BE) 2023-08-22 US 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-11731974-B2 N-acyl-(3-substituted)-(8-substituted)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazines as selective NK-3 receptor antagonists PKD1, KISS1R, PKD2 TACR3 98/4885CYP2C9 1511/4885CYP2C19 607/4885

“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.