SCHEMBL10061314

SCHEMBL10061314

CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@]43C)C12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 10/20 0.52
▸ LMNA P02545 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ NT5E P21589 1/20 0.52
▸ PRKCD Q05655 1/20 0.48
▸ SLC10A1 Q14973 1/20 0.46
▸ PTPN1 P18031 5/20 0.43
▸ ACP1 P24666 2/20 0.43
▸ PTPRF P10586 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.43
▸ CES2 O00748 1/20 0.41
▸ TOP2A P11388 1/20 0.41
▸ CES1 P23141 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
SCHEMBL13908732 1.00 GPBAR1 (0.52) GPBAR1LMNASMN1; SMN2NT5EPRKCD
SCHEMBL13908800 1.00 GPBAR1 (0.52) GPBAR1LMNASMN1; SMN2NT5EPRKCD
SCHEMBL17794078 1.00 GPBAR1 (0.52) GPBAR1LMNASMN1; SMN2NT5EPRKCD
SCHEMBL14134458 0.86 SLC10A1 (0.52) GPBAR1LMNASMN1; SMN2NT5EPRKCD
SCHEMBL15202809 0.86 GPBAR1 (0.50) GPBAR1LMNASMN1; SMN2NT5EPRKCD
SCHEMBL17761431 0.86 GPBAR1 (0.50) GPBAR1LMNASMN1; SMN2NT5EPRKCD
SCHEMBL13403269 0.86 GPBAR1 (0.50) GPBAR1LMNASMN1; SMN2NT5EPRKCD
SCHEMBL10061168 0.86 GPBAR1 (0.59) GPBAR1LMNASMN1; SMN2NT5EPRKCD
SCHEMBL16511700 0.86 GPBAR1 (0.59) GPBAR1LMNASMN1; SMN2NT5EPRKCD
SCHEMBL17761427 0.85 GPBAR1 (0.52) GPBAR1LMNASMN1; SMN2NT5EPRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2088152-B1 N'-{N-[3-OXO-LUPEN-28-OYL]-9-AMINONONANOYL}-3-AMINO-3-PHENYLPROPEONIC ACID AND THE PHARMACEUTICALLY ACCEPTABLE DERIVATIVES THEREOF, A METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A MEDICINAL AGENT INST NEFTEKHIMII I KATALIZA ROSSIISKOI AKADEMII NAUK (RU) 2012-02-01 — — EP disclosed
US-20100087539-A1 N'--3-AMINO-3-PHENYLPROPEONIC ACID AND THE PHARMACEUTICALLY ACCEPTABLE DERIVATIVES THEREOF, A METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A MEDICINAL AGENT INSTITUT NEFTEKHIMII I KATALIZA ROSSIISKOI AKADEMII NAUK (RU) 2010-04-08 — — US disclosed
US-20100087539-A1 N'--3-AMINO-3-PHENYLPROPEONIC ACID AND THE PHARMACEUTICALLY ACCEPTABLE DERIVATIVES THEREOF, A METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A MEDICINAL AGENT INSTITUT NEFTEKHIMII I KATALIZA ROSSIISKOI AKADEMII NAUK (RU) 2010-04-08 — — US disclosed
EP-2088152-A1 N'-{N-[3-OXO-LUPEN-28-OYL]-9-AMINONONANOYL}-3-AMINO-3-PHENYLPROPEONIC ACID AND THE PHARMACEUTICALLY ACCEPTABLE DERIVATIVES THEREOF, A METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A MEDICINAL AGENT Institut Neftekhimii I Kataliza Rossiiskoi Akademii Nauk (RU) 2009-08-12 — — 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-20100087539-A1 N'--3-AMINO-3-PHENYLPROPEONIC ACID AND THE PHARMACEUTICALLY ACCEPTABLE DERIVATIVES THEREOF, A METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A MEDICINAL AGENT GART, DNPEP, IL4I1 GPBAR1 516/4885LMNA 2743/4885SMN1; SMN2 4396/4885

“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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