SCHEMBL2375919

SCHEMBL2375919

COC(=O)c1ccc(CC2(C(=O)NC3CCCCC3)CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.51
▸ EPHX1 P07099 1/20 0.49
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ABL1 P00519 1/20 0.41
▸ RIN1 Q13671 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41

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
SCHEMBL2373650 0.84 PKM (0.57) PKMHDAC1HDAC6SMN1; SMN2MEN1
SCHEMBL2374800 0.79 NPC1 (0.50) EPHX1ALDH1A1NPC1SMN1; SMN2EPHX2
SCHEMBL2375349 0.79 CTSK (0.41) PKMALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL26523105 0.79 EPHX1 (0.48) EPHX1ALDH1A1NPC1MEN1KMT2A
SCHEMBL2374896 0.77 PKM (0.55) PKMHDAC1HDAC6NPC1SMN1; SMN2
SCHEMBL25275008 0.77 EPHX1 (0.55) EPHX1ALDH1A1SMN1; SMN2EPHX2MEN1
SCHEMBL5312277 0.77 PKM (0.52) PKMHDAC1HDAC6ALDH1A1SMN1; SMN2
SCHEMBL2373659 0.75 PKM (0.52) PKMHDAC1HDAC6ALDH1A1MEN1
SCHEMBL17572994 0.74 HDAC4 (0.60) PKMEPHX1HDAC6ALDH1A1NPC1
SCHEMBL2797701 0.74 ALDH1A1 (0.52) PKMEPHX1HDAC1HDAC6ALDH1A1

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-2544684-B1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-1 (DPP-1) JANSSEN PHARMACEUTICA NV (BE) 2014-12-24 — — EP disclosed
US-20110224209-A1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-1 (DPP-1) JANSSEN PHARMACEUTICA N.V. (BE) 2011-09-15 — — 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-20110224209-A1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-1 (DPP-1) DPP4, DPP3, DPP7 PKM 1565/4885EPHX1 2179/4885HDAC1 132/4885

“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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