SCHEMBL20959395

SCHEMBL20959395

O=C(O)N[C@@H]1CCCC[C@H]1N1CCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ F10 P00742 2/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MGLL Q99685 1/20 0.33
▸ DPP4 P27487 1/20 0.33

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
SCHEMBL20959117 0.95 F10 (0.36) F10DPP4
SCHEMBL3920197 0.81 CHRNB2 (0.36) TSHR
SCHEMBL3920202 0.81 CHRNB2 (0.36) TSHR
SCHEMBL20959020 0.79 CDA (0.38) RAB9AF10
SCHEMBL20959070 0.79 F10 (0.38) NPC1SMN1; SMN2RAB9ATSHRF10
SCHEMBL5357235 0.77 CHRNB2 (0.35) DPP4
SCHEMBL1721165 0.77 CHRNB2 (0.35) DPP4
SCHEMBL20958741 0.77 F10 (0.39) F10DPP4
SCHEMBL3926724 0.77 CHRNB2 (0.35) DPP4
SCHEMBL20959484 0.75 PDE7A (0.38) —

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-10435399-B2 HDAC6 inhibitory heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-10-08 — — US disclosed
US-20190135799-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-09 — — 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-10435399-B2 HDAC6 inhibitory heterocyclic compound HDAC6, HDAC1, HDAC5 NPC1 892/4885SMN1; SMN2 146/4885HPGD 2156/4885
US-20190135799-A1 HETEROCYCLIC COMPOUND HDAC1, HDAC5, HDAC6 NPC1 556/4885SMN1; SMN2 115/4885HPGD 1022/4885

“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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