SCHEMBL18485326

SCHEMBL18485326

O=C(O)[C@@H]1CCC[C@H](C(=O)N2CCCCC2)C1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.61
▸ ALDH1A1 P00352 4/20 0.55
▸ TSHR P16473 1/20 0.55
▸ LMNA P02545 2/20 0.47
▸ GRM5 P41594 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HSD11B1 P28845 3/20 0.43
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ CHRNB3 Q05901 1/20 0.43
▸ CHRNA6 Q15825 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42

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
SCHEMBL21409056 0.98 HPGD (0.57) HPGDALDH1A1TSHRLMNAGRM5
SCHEMBL18485328 0.94 HPGD (0.69) HPGDALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL1299273 0.92 HPGD (0.65) HPGDALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL1299272 0.92 HPGD (0.65) HPGDALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL1299276 0.92 HPGD (0.65) HPGDALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL18485319 0.84 EPHX2 (0.51) HPGDALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL3706273 0.83 HPGD (0.86) HPGDALDH1A1TSHRLMNAGRM5
SCHEMBL12714626 0.83 HPGD (0.86) HPGDALDH1A1TSHRLMNAGRM5
SCHEMBL700845 0.82 HPGD (0.83) HPGDALDH1A1TSHRLMNAGRM5
SCHEMBL700843 0.82 HPGD (0.83) HPGDALDH1A1TSHRLMNAGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9878981-B2 Method for producing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-01-30 — — US disclosed
US-20170121286-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-04 — — US disclosed
EP-3130581-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-02-15 — — EP 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-20170121286-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND REN, AGT, AGTR1 HPGD 589/4885ALDH1A1 149/4885TSHR 2004/4885

“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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