SCHEMBL20854589

SCHEMBL20854589

CN1CCCN([C@@H]2CCCN(C(=O)O)[C@@H]2CCc2ccccc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.41
▸ EPHX2 P34913 2/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ SLC18A2 Q05940 1/20 0.39
▸ ACE P12821 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ FKBP1A P62942 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL20986846 0.89 MEN1 (0.39) EPHX2HRH3MEN1KMT2A
SCHEMBL16764330 0.74 JAK3 (0.33) SMN1; SMN2
SCHEMBL16786082 0.74 PREP (0.48) —
SCHEMBL20854587 0.74 PREP (0.48) —
SCHEMBL4961994 0.71 SLC18A2 (0.55) KCNH2HRH3SLC18A2MEN1NPC1
SCHEMBL20986824 0.69 DPP4 (0.41) EPHX2HRH3
SCHEMBL16786076 0.68 PREP (0.49) —
SCHEMBL5036586 0.68 PSEN1 (0.44) MEN1KMT2A
SCHEMBL16764472 0.68 JAK3 (0.34) HPGDSMN1; SMN2
SCHEMBL20986848 0.66 SMN1; SMN2 (0.49) HRH3MEN1NPC1RAB9AKMT2A

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-20200079754-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2020-03-12 — — US disclosed
US-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2019-04-04 — — 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 (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-20200079754-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK KCNH2 3440/4885EPHX2 2317/4885HRH3 1770/4885
US-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK KCNH2 3431/4885EPHX2 2280/4885HRH3 1935/4885

“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.

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