SCHEMBL3603394

SCHEMBL3603394

Clc1cc(NC2CCN(Cc3ccccc3)CC2)nc(Cl)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.59
ACHE P22303 9/20 0.57
OPRK1 P41145 1/20 0.57
EZH2 Q15910 1/20 0.54
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
BACE1 P56817 4/20 0.52
BCHE P06276 2/20 0.52
ROCK2 O75116 2/20 0.52
ROCK1 Q13464 2/20 0.52
CCR2 P41597 1/20 0.52
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
NTSR1 P30989 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MCHR1 Q99705 1/20 0.51
MEN1 O00255 1/20 0.50
SLC6A12 P48065 1/20 0.50

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
SCHEMBL3611907 0.84 ACHE (0.61) HRH3ACHEEZH2KDM4EGAA
SCHEMBL6980975 0.83 HRH3 (0.76) HRH3ACHEKDM4EGAABACE1
SCHEMBL3608107 0.83 ACHE (0.50) HRH3ACHEKDM4EGAABACE1
SCHEMBL2821246 0.80 ACHE (0.73) HRH3ACHEKDM4EGAABACE1
SCHEMBL1748109 0.80 SSTR5 (0.48) HRH3OPRK1EZH2MCHR1
SCHEMBL1748534 0.79 SSTR5 (0.56) HRH3ACHEOPRK1EZH2ROCK2
SCHEMBL1748502 0.79 SSTR5 (0.54) EZH2
SCHEMBL1748326 0.79 SSTR5 (0.62)
SCHEMBL1748268 0.78 SSTR5 (0.60) KDM4E
SCHEMBL1748038 0.78 SSTR5 (0.60)

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-2023014611-A1 PYRIMIDINE COMPOUNDS AND USE THEREOF YEH, TENG-KUANG (US) 2023-02-09 WO disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 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-20100256143-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, JAK2 HRH3 1633/4885ACHE 3051/4885OPRK1 2613/4885

“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.