SCHEMBL8301910

SCHEMBL8301910

CN[C@@H](CCC(C)C)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 4/20 0.38
CA1 P00915 2/20 0.36
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
SORT1 Q99523 1/20 0.31
POLB P06746 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
BLM P54132 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21515900 1.00 KISS1R (0.38) KISS1RCA1ALDH1A1TDP1TAS1R3
SCHEMBL15315076 0.86 BLM (0.41) KISS1RCA1ALDH1A1TDP1BLM
SCHEMBL24235483 0.84 ALDH1A1 (0.39) KISS1RALDH1A1
SCHEMBL26431299 0.81 KISS1R (0.31) KISS1RALDH1A1
SCHEMBL21635774 0.81 ALDH1A1 (0.43) CA1ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL29657364 0.81 ALDH1A1 (0.43) CA1ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL882883 0.81 ALDH1A1 (0.43) CA1ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL21166859 0.79 CA1 (0.34) KISS1RCA1ALDH1A1TDP1TAS1R3
SCHEMBL21982815 0.79 CA1 (0.34) CA1TAS1R3TAS1R1TAS1R2SLC1A3
SCHEMBL8252887 0.78

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 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372536-A1 NANOMATERIAL AND METHODS OF USE THEREOF UNIVERSITY OF CONNECTICUT 2023-11-23 US disclosed
US-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. 2023-07-27 US disclosed
US-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. 2023-07-27 US disclosed
US-11638715-B2 Orally-bioavailable nucleoside analogs VenatoRx Pharmaceuticals, Inc. (US) 2023-05-02 US disclosed
US-11638715-B2 Orally-bioavailable nucleoside analogs VenatoRx Pharmaceuticals, Inc. (US) 2023-05-02 US disclosed
US-20230127248-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF AILERON THERAPEUTICS, INC. 2023-04-27 US disclosed
US-20230127248-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF AILERON THERAPEUTICS, INC. 2023-04-27 US disclosed
EP-3052121-B1 WNT COMPOSITIONS AND METHODS FOR PURIFICATION UNIV LELAND STANFORD JUNIOR (US) 2023-02-22 EP disclosed
US-20230024722-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. 2023-01-26 US disclosed
US-20210363189-A1 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS INC (US) 2021-11-25 US disclosed
US-20100210552-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 US disclosed
US-20100210552-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 US disclosed
US-20070287670-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 US disclosed
US-20070287670-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 US disclosed
US-7238671-B2 Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
US-7238671-B2 Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
US-7238670-B2 Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
US-7238670-B2 Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
WO-2004094461-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
WO-2003033671-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-24 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 (8 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-20230127248-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF MDM2, TP53, TP53BP1 KISS1R 3182/4885CA1 3582/4885ALDH1A1 4716/4885
US-20230024722-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS SLC29A2, SLC29A1, PNP KISS1R 2544/4885CA1 4839/4885ALDH1A1 2219/4885
US-20070287670-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, IAPP, GIPR KISS1R 308/4885CA1 3144/4885ALDH1A1 4824/4885
US-20100210552-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, IAPP, GIPR KISS1R 308/4885CA1 3144/4885ALDH1A1 4824/4885
US-20230372536-A1 NANOMATERIAL AND METHODS OF USE THEREOF ILK, EPCAM, MMP8 KISS1R 3923/4885CA1 1183/4885ALDH1A1 1432/4885
US-11638715-B2 Orally-bioavailable nucleoside analogs SLC29A2, SLC29A1, PNP KISS1R 2544/4885CA1 4839/4885ALDH1A1 2219/4885
US-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS SLC29A2, SLC29A1, PNP KISS1R 2544/4885CA1 4839/4885ALDH1A1 2219/4885
US-20210363189-A1 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES BID, FLT3, GRPR KISS1R 1813/4885CA1 2426/4885ALDH1A1 4722/4885

“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.