SCHEMBL16424491

SCHEMBL16424491

O=C(O)C1CCC1C(=O)N1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.52
▸ TFPI2 P48307 1/20 0.44
▸ HSD11B1 P28845 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ SIGMAR1 Q99720 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HRH3 Q9Y5N1 4/20 0.39
▸ ACE P12821 2/20 0.38

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
SCHEMBL1163992 0.98 HPGD (0.56) HPGDTFPI2HSD11B1CTSBCTSS
SCHEMBL1163991 0.98 HPGD (0.56) HPGDTFPI2HSD11B1CTSBCTSS
SCHEMBL18485325 0.91 HPGD (0.54) HPGDTFPI2HSD11B1CTSBCTSS
SCHEMBL699775 0.91 HPGD (0.54) HPGDTFPI2HSD11B1CTSBCTSS
SCHEMBL3458439 0.84 HPGD (0.61) HPGDTFPI2HSD11B1ALDH1A1TSHR
SCHEMBL5605774 0.81 PPP5C (0.53) TFPI2HSD11B1CTSBCTSSCTSK
SCHEMBL16424010 0.81 ALDH1A1 (0.45) HPGDALDH1A1TSHR
SCHEMBL6898895 0.80 HPGD (0.56) HPGDHSD11B1CTSBCTSSCTSK
SCHEMBL1299276 0.78 HPGD (0.65) HPGDTFPI2HSD11B1ALDH1A1TSHR
SCHEMBL1299273 0.78 HPGD (0.65) HPGDTFPI2HSD11B1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027587-B1 1,2-DISUBSTITUTED CYCLOBUTYL COMPOUNDS ESTEVE LABOR DR (ES) 2018-07-25 — — EP disclosed
US-9464069-B2 1,2-disubstituted cyclobutyl compounds LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2016-10-11 — — US disclosed
US-20160185755-A1 1,2-DISUBSTITUTED CYCLOBUTYL COMPOUNDS ESTEVE PHARMACEUTICALS, S.A. (ES) 2016-06-30 — — US disclosed
EP-3027587-A1 1,2-DISUBSTITUTED CYCLOBUTYL COMPOUNDS Laboratorios Del. Dr. Esteve, S.A. (ES) 2016-06-08 — — EP disclosed
WO-2015014816-A1 1,2-DISUBSTITUTED CYCLOBUTYL COMPOUNDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2015-02-05 — — WO disclosed
EP-2832720-A1 1,2-disubstituted cyclobutyl compounds Laboratorios Del. Dr. Esteve, S.A. (ES) 2015-02-04 — — 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-20160185755-A1 1,2-DISUBSTITUTED CYCLOBUTYL COMPOUNDS OPRL1, OPRK1, PTGS1 HPGD 248/4885TFPI2 1151/4885HSD11B1 202/4885

“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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