SCHEMBL14804455

SCHEMBL14804455

CC1Nc2ccc(C(C)C)cc2S1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
TRPA1 O75762 1/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32
KIF11 P52732 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32
GFER P55789 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
PARP3 Q9Y6F1 1/20 0.30
NPC1 O15118 1/20 0.30
SCN4A P35499 1/20 0.30
RAB9A P51151 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
SCHEMBL17368390 0.86 IDO1 (0.35) GAAHPGDSMN1; SMN2LMNATRPA1
SCHEMBL7916565 0.76 EPHX2 (0.41) GAAHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL18874816 0.74 IDO1 (0.44) GAAHPGDALDH1A1HSD17B10
SCHEMBL23775752 0.73 SMN1; SMN2 (0.48) HPGDSMN1; SMN2LMNAHTTGFER
SCHEMBL16471403 0.71 SNCA (0.53) GAASMN1; SMN2LMNAALDH1A1HTT
SCHEMBL20094335 0.71 KIF11 (0.35) GAAHPGDKIF11ALDH1A1HSD17B10
SCHEMBL30467250 0.69 SNCA (0.50) GAAHPGDSMN1; SMN2LMNATRPA1
SCHEMBL28470729 0.69 SNCA (0.50) GAAHPGDSMN1; SMN2LMNATRPA1
SCHEMBL14016592 0.69 LMNA (0.38) GAAHPGDSMN1; SMN2LMNATRPA1
SCHEMBL23775714 0.69 MAPT (0.39) GAAHPGDSMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841301-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-23 US disclosed
US-20130079338-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 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 (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-20130079338-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A GAA 1312/4885HPGD 1406/4885SMN1; SMN2 351/4885

“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.