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SCHEMBL2816786

SCHEMBL2816786

CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)c3ccc4c(c3)[C@H](NC(=O)c3ccccc3Cl)CC4)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ SPTLC2 O15270 6/20 0.40
▸ TAS1R3 Q7RTX0 3/20 0.39
▸ TAS1R1 Q7RTX1 3/20 0.39
▸ TAS1R2 Q8TE23 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ACACB O00763 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ RIN1 Q13671 1/20 0.38
▸ SCD5 Q86SK9 1/20 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
SCHEMBL2816781 1.00 ALDH1A1 (0.42) ALDH1A1LMNASPTLC2TAS1R3TAS1R1
SCHEMBL485232 0.89 ALDH1A1 (0.46) ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2
SCHEMBL13131345 0.85 NAMPT (0.47) ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2
SCHEMBL484709 0.85 TAS1R3 (0.43) ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2
Hydrochloric Acid SCHEMBL485108 0.85 NAMPT (0.47) ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2
Hydrochloric Acid SCHEMBL485109 0.85 NAMPT (0.47) ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2
SCHEMBL485067 0.84 ALDH1A1 (0.45) ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2
SCHEMBL484473 0.84 ALDH1A1 (0.46) ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2
SCHEMBL485102 0.84 NAMPT (0.46) ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2
SCHEMBL484968 0.83 CYP3A4 (0.48) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 — — US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 — — US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 — — US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 — — WO 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 (2 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN ALDH1A1 2086/4885LMNA 1187/4885SPTLC2 3707/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ALDH1A1 2086/4885LMNA 1187/4885SPTLC2 3707/4885

“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.