SCHEMBL29955816

SCHEMBL29955816

CC#Cc1cncc(B(O)O)c1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.32
PARP1 P09874 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
CYP2A6 P11509 1/20 0.30
BACE1 P56817 3/20 0.30
CTSD P07339 1/20 0.30
KCNH2 Q12809 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL931865 1.00 ENPP2 (0.32) ENPP2PARP1PRMT5WDR77EGLN1
SCHEMBL29952025 0.90 PRMT5 (0.39) PRMT5WDR77CYP2A6BACE1CTSD
SCHEMBL29957892 0.81 GRM5 (0.31) ENPP2GRM5
SCHEMBL9948434 0.80 GRM5 (0.35) ENPP2CYP2A6GRM5
SCHEMBL5742874 0.79 GRM5 (0.38) PARP1PRMT5WDR77EGLN1CYP2A6
SCHEMBL248711 0.76 ENPP2 (0.52) ENPP2
SCHEMBL15957833 0.74 GRM5 (0.40) PRMT5WDR77CYP2A6GRM5
SCHEMBL2381674 0.74
SCHEMBL28967087 0.73 ENPP2 (0.36) ENPP2
SCHEMBL21518938 0.73 GRM5 (0.38) PARP1GRM5

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
US-20240246981-A1 PHENYLPIPERIDINE DERIVATIVES AS INHIBITORS OF GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE AND GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE PROTEIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-07-25 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 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-20240246981-A1 PHENYLPIPERIDINE DERIVATIVES AS INHIBITORS OF GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE AND GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE PROTEIN QPCT, QPCTL, GGCT ENPP2 479/4885PARP1 1325/4885PRMT5 371/4885

“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.