SCHEMBL22718902

SCHEMBL22718902

N#CC1(n2cccn2)CCNCC1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ TSHR P16473 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
SCHEMBL15322066 0.87 PDE4A (0.31) —
Trifluoroacetic Acid SCHEMBL22718927 0.86 HRH4 (0.31) —
SCHEMBL3378934 0.84 PDE4A (0.33) —
SCHEMBL31673285 0.68 — —
SCHEMBL23666181 0.66 JAK2 (0.34) —
SCHEMBL25460799 0.64 KDM4E (0.33) —
SCHEMBL30911176 0.61 — —
SCHEMBL15326704 0.61 — —
SCHEMBL8214992 0.61 GRIN1 (0.32) —
SCHEMBL13831491 0.60 OPRM1 (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976027-B1 QUINOLINE DERIVATIVES AS FACTOR XI ACTIVATION INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-11-05 — — EP disclosed
US-12304899-B2 Factor XI activation inhibitors MERCK SHARP & DOHME LLC (US) 2025-05-20 — — US disclosed
US-20220235033-A1 FACTOR XI ACTIVATION INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-07-28 — — US disclosed
EP-3976027-A1 FACTOR XI ACTIVATION INHIBITORS Merck Sharp & Dohme Corp. (US) 2022-04-06 — — EP disclosed
WO-2020243049-A1 FACTOR XI ACTIVATION INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-12-03 — — WO 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 (2 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-12304899-B2 Factor XI activation inhibitors F11, TFPI, F13B ALDH1A1 2315/4885HPGD 957/4885HSD17B10 1958/4885
US-20220235033-A1 FACTOR XI ACTIVATION INHIBITORS F11, TFPI, F13B ALDH1A1 2315/4885HPGD 957/4885HSD17B10 1958/4885

“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.

Send feedback