SCHEMBL18485328

SCHEMBL18485328

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

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.69
▸ ALDH1A1 P00352 5/20 0.52
▸ TSHR P16473 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ HSD11B1 P28845 2/20 0.44
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNA3 P32297 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ CHRNB3 Q05901 1/20 0.44
▸ CHRNA6 Q15825 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TFPI2 P48307 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ACE P12821 1/20 0.40

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
SCHEMBL1299273 0.98 HPGD (0.65) HPGDALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL1299276 0.98 HPGD (0.65) HPGDALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL1299272 0.98 HPGD (0.65) HPGDALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL18485326 0.94 HPGD (0.61) HPGDALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL21409056 0.92 HPGD (0.57) HPGDALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL700845 0.88 HPGD (0.83) HPGDALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL700843 0.88 HPGD (0.83) HPGDALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL3458439 0.86 HPGD (0.61) HPGDALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL2946268 0.85 HPGD (0.78) HPGDALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL2946264 0.85 HPGD (0.78) HPGDALDH1A1TSHRSMN1; SMN2HTT

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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