SCHEMBL15080320

SCHEMBL15080320

CC(=O)C(CN)CCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 1/20 0.45
KISS1R Q969F8 3/20 0.38
CA1 P00915 2/20 0.36
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GABRR1 P24046 2/20 0.34
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
ANPEP P15144 1/20 0.32
DNPEP Q9ULA0 1/20 0.32
ALPL P05186 1/20 0.31
POLB P06746 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31

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
SCHEMBL977889 0.81 SLC1A3 (0.61) SLC1A3SLC1A2SLC1A1TDP1GABRR1
SCHEMBL5378219 0.81 SLC1A3 (0.61) SLC1A3SLC1A2SLC1A1TDP1GABRR1
SCHEMBL26857868 0.80
SCHEMBL31138110 0.80
Hydrochloric Acid SCHEMBL15688771 0.79 SLC1A3 (0.59) SLC1A3SLC1A2SLC1A1TDP1GABRR1
SCHEMBL9388763 0.79
SCHEMBL15080401 0.78 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1KISS1RCA1
SCHEMBL15468670 0.78
SCHEMBL13235911 0.78 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1KISS1RCA1
SCHEMBL15080400 0.78 KISS1R (0.48) SLC1A3SLC1A2KISS1RALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140315790-A1 AMINOTHIAZOLES AND THEIR USES BUSHELL SIMON (US) 2014-10-23 US disclosed
US-20130252883-A1 Macrocycles and Their Uses NOVARTIS AG (CH) 2013-09-26 US disclosed
US-8476224-B2 Macrocycles and their uses NOVARTIS AG (US) 2013-07-02 US 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-20130252883-A1 Macrocycles and Their Uses MRPL21, CLPP, MLEC SLC1A3 4688/4885SLC1A2 4640/4885SLC1A1 4746/4885
US-20140315790-A1 AMINOTHIAZOLES AND THEIR USES ABAT, AADAT, GOT2 SLC1A3 219/4885SLC1A2 173/4885SLC1A1 191/4885

“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.