SCHEMBL20077898

SCHEMBL20077898

CCOC(=O)c1cc(C2CCCC2)c(-c2ccccc2C(F)(F)F)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 2/20 0.42
CACNA1F O60840 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.40
ATM Q13315 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL20077744 0.84 KDM4E (0.41) CACNA1CCACNA1FCACNA1DCACNA1SKDM4E
SCHEMBL31114599 0.71 GABRP (0.49) CACNA1CCACNA1FCACNA1DCACNA1SKDM4E
SCHEMBL20568124 0.71 ABL1 (0.48) KDM4EALDH1A1TDP1LMNAHPGD
SCHEMBL21510772 0.70 KDM4E (0.40) CACNA1CKDM4EALDH1A1GAAKMT2A
SCHEMBL20077894 0.70 KDM4E (0.42) CACNA1CKDM4EALDH1A1GAAKMT2A
SCHEMBL16549400 0.70 POLB (0.50) CACNA1CKDM4EALDH1A1GAAKMT2A
SCHEMBL20077988 0.69 ALDH1A1 (0.45) CACNA1CCACNA1FCACNA1DCACNA1SKDM4E
SCHEMBL16549389 0.69 KDM4E (0.56) CACNA1CCACNA1FCACNA1DCACNA1SKDM4E
SCHEMBL22077851 0.68 S1PR1 (0.55) KDM4EALDH1A1L3MBTL1NPC1LMNA
SCHEMBL700154 0.68 KDM4E (0.51) KDM4EALDH1A1GAAKMT2AL3MBTL1

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-20190322644-A1 HETEROCYCLIC APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2019-10-24 US disclosed
WO-2018071526-A1 HETEROCYCLIC APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE (US) 2018-04-19 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-20190322644-A1 HETEROCYCLIC APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, GRPR, BID CACNA1C 757/4885CACNA1F 1483/4885CACNA1D 909/4885

“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.