SCHEMBL29458121

SCHEMBL29458121

Clc1ccc(NC2=NCCN2)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 9/20 0.56
ADRA2B P18089 8/20 0.56
ADRA2C P18825 8/20 0.56
ADRA1D P25100 5/20 0.56
ADRA1A P35348 5/20 0.56
ADRA1B P35368 5/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
HSD17B10 Q99714 1/20 0.56
LMNA P02545 3/20 0.55
CYP2D6 P10635 2/20 0.55
NISCH Q9Y2I1 2/20 0.55
MEN1 O00255 1/20 0.55
SLC22A1 O15245 1/20 0.55
SLC22A3 O75751 1/20 0.55
HTR1A P08908 1/20 0.55
CYP2C9 P11712 1/20 0.55
HRH2 P25021 1/20 0.55
CYP2C19 P33261 1/20 0.55
OPRK1 P41145 1/20 0.55

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
SCHEMBL11759345 1.00 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11359884 0.87 ADRA2A (0.68) ADRA2AADRA2BADRA2CADRA1DADRA1A
Tolonidine SCHEMBL310600 0.84 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL29349477 0.84 ADRA2A (0.63) ADRA2AADRA2BADRA2CADRA1DADRA1A
Tolonidine SCHEMBL29391908 0.84 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11762970 0.84 ADRA2A (0.63) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11757404 0.81 ADRA2A (0.63) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9820148 0.81 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11859273 0.80 ADRA2A (0.68) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11164292 0.80 ADRA2A (0.59) ADRA2AADRA2BADRA2CADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023188711-A1 DEFECT OCCURRENCE TREND ANALYSIS METHOD 日東電工株式会社 2023-10-05 WO disclosed
US-11247982-B2 NMDA receptor modulators, compositions comprising same and use of these compounds in the treatment of diseases involving the central nervous system ADPUERIVITAM (FR) 2022-02-15 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-11247982-B2 NMDA receptor modulators, compositions comprising same and use of these compounds in the treatment of diseases involving the central nervous system GRIN3A, GRIN1, GRIN2A ADRA2A 1514/4885ADRA2B 2471/4885ADRA2C 1315/4885

“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.