SCHEMBL26969841

SCHEMBL26969841

Cc1nc(N2CCC2)ncc1CO

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.53
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 6/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL30708890 1.00 NR1H2 (0.53) NR1H2POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL30708828 0.80 KCNQ3 (0.39) NR1H2POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL21713012 0.80 NR1H2 (0.50) NR1H2POLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL26969834 0.80 KCNQ3 (0.39) NR1H2POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL20541008 0.80 NR1H2 (0.45) NR1H2POLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL21736663 0.78 NR1H2 (0.44) NR1H2POLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL29732670 0.77 POLB (0.55) POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL18005507 0.77 POLB (0.54) POLBSMN1; SMN2MAPTALDH1A1HSD17B10
SCHEMBL30708794 0.76 NR1H2 (0.41) NR1H2POLBSMN1; SMN2ALDH1A1
SCHEMBL30708836 0.76 NR1H2 (0.37) NR1H2POLBSMN1; SMN2MAPTALDH1A1

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
EP-4210694-B1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-10-15 EP disclosed
US-20230416227-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-12-28 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-20230416227-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, KLK5 NR1H2 1305/4885POLB 4522/4885SMN1; SMN2 4669/4885

“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.