SCHEMBL18485325

SCHEMBL18485325

O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.54
▸ CTSB P07858 2/20 0.53
▸ CTSS P25774 2/20 0.53
▸ CTSK P43235 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ ADAM10 O14672 1/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ TFPI2 P48307 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HSD11B1 P28845 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
SCHEMBL699775 0.96 HPGD (0.54) HPGDCTSBCTSSCTSKALDH1A1
SCHEMBL1163991 0.94 HPGD (0.56) HPGDCTSBCTSSCTSKALDH1A1
SCHEMBL1163992 0.94 HPGD (0.56) HPGDCTSBCTSSCTSKALDH1A1
SCHEMBL16424491 0.91 HPGD (0.52) HPGDCTSBCTSSCTSKALDH1A1
SCHEMBL29012245 0.82 CHRNB2 (0.55) CTSBCTSSCTSKALDH1A1TSHR
SCHEMBL5761060 0.82 ALDH1A1 (0.43) HPGDALDH1A1TSHRSMN1; SMN2ADAM10
SCHEMBL29012248 0.82 CHRNB2 (0.55) CTSBCTSSCTSKALDH1A1TSHR
SCHEMBL31207070 0.82 CTSB (0.57) CTSBCTSSCTSKALDH1A1TSHR
SCHEMBL5605778 0.82 CTSB (0.57) CTSBCTSSCTSKALDH1A1TSHR
SCHEMBL18485318 0.82 ALDH1A1 (0.43) HPGDALDH1A1TSHRSMN1; SMN2ADAM10

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 589/4885CTSB 2311/4885CTSS 3430/4885

“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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