SCHEMBL31499

SCHEMBL31499

CCC1(O)CCN(C(=O)c2ccc3nc(C)c(-c4ccccc4)n3c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.62
AKT1 P31749 11/20 0.44
AKT2 P31751 11/20 0.44
SLC2A1 P11166 1/20 0.42
PKLR P30613 1/20 0.41
CYP46A1 Q9Y6A2 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 2/20 0.40
USP7 Q93009 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
KLK7 P49862 1/20 0.39
FASN P49327 1/20 0.39

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
SCHEMBL15071152 0.85 F2RL1 (0.75) F2RL1SLC2A1ALDH1A1HPGDLMNA
SCHEMBL15071157 0.84 F2RL1 (0.72) F2RL1AKT1AKT2SLC2A1PKLR
SCHEMBL15071100 0.84 F2RL1 (0.77) F2RL1AKT1AKT2ALDH1A1HPGD
SCHEMBL31518 0.83 F2RL1 (0.72) F2RL1AKT1AKT2SLC2A1ALDH1A1
SCHEMBL15071143 0.82 F2RL1 (0.74) F2RL1AKT1AKT2SLC2A1HPGD
SCHEMBL15050009 0.82 F2RL1 (0.68) F2RL1AKT1AKT2SLC2A1HPGD
SCHEMBL15071160 0.81 F2RL1 (0.67) F2RL1AKT1AKT2SLC2A1ALDH1A1
SCHEMBL15071158 0.81 F2RL1 (0.73) F2RL1ALDH1A1KDM4EHPGDLMNA
Hydrochloric Acid SCHEMBL15049976 0.81 F2RL1 (0.67) F2RL1AKT1AKT2SLC2A1HPGD
SCHEMBL31526 0.79 F2RL1 (0.90) F2RL1SLC2A1HPGDSMN1; SMN2FASN

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-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME NEOPHARM CO.,LTD. (KR) 2013-06-27 US disclosed
US-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME NEOPHARM CO.,LTD. (KR) 2013-06-27 US disclosed
WO-2012026765-A2 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME (주)네오팜 (KR) 2012-03-01 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 (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-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME F2RL1, F2R, FPR2 F2RL1 1/4885AKT1 669/4885AKT2 475/4885

“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.