SCHEMBL16424100

SCHEMBL16424100

COC(=O)[C@@H]1CC[C@H]1C(=O)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ CTSB P07858 1/20 0.46
▸ CTSS P25774 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ HPGD P15428 2/20 0.45
▸ CHRM2 P08172 1/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39

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
SCHEMBL16423599 1.00 SMN1; SMN2 (0.50) SMN1; SMN2CTSBCTSSCTSKHPGD
SCHEMBL16424112 1.00 SMN1; SMN2 (0.50) SMN1; SMN2CTSBCTSSCTSKHPGD
SCHEMBL16433812 1.00 SMN1; SMN2 (0.50) SMN1; SMN2CTSBCTSSCTSKHPGD
SCHEMBL6900694 0.93 SMN1; SMN2 (0.51) SMN1; SMN2CTSBCTSSCTSKHPGD
SCHEMBL16423945 0.85 SMN1; SMN2 (0.47) SMN1; SMN2HPGDALDH1A1POLB
SCHEMBL16433761 0.84 TSHR (0.49) SMN1; SMN2CTSSCTSKHPGDALDH1A1
SCHEMBL16433815 0.84 TSHR (0.49) SMN1; SMN2CTSSCTSKHPGDALDH1A1
SCHEMBL16424043 0.84 TSHR (0.49) SMN1; SMN2CTSSCTSKHPGDALDH1A1
SCHEMBL17885746 0.80 HPGD (0.54) CTSBCTSSCTSKHPGDALDH1A1
SCHEMBL2175200 0.80 HPGD (0.50) SMN1; SMN2HPGDALDH1A1

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 8 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-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
US-20160185755-A1 1,2-DISUBSTITUTED CYCLOBUTYL COMPOUNDS ESTEVE PHARMACEUTICALS, S.A. (ES) 2016-06-30 — — US 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
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 SMN1; SMN2 1243/4885CTSB 967/4885CTSS 1570/4885

“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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