SCHEMBL16638441

SCHEMBL16638441

Cc1cnc2c(c1)c1c(n2CC(O)c2ccc(C#N)cc2)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCARB1 Q8WTV0 4/20 0.42
RORC P51449 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.37
NTSR1 P30989 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
BCHE P06276 2/20 0.36
PTGER4 P35408 1/20 0.35

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
SCHEMBL16638406 0.89 SCARB1 (0.41) SCARB1RORCKMT2AMEN1LMNA
SCHEMBL13834536 0.87 SIGMAR1 (0.35) SCARB1PTGER4USP14
SCHEMBL14728796 0.86 HRH1 (0.45) ALDH1A1KDM4EBCHE
SCHEMBL16638430 0.85 KMT2A (0.43) KMT2AMEN1LMNAALDH1A1NPSR1
SCHEMBL13833891 0.76 SIRT2 (0.35) SCARB1PTGER4USP14
SCHEMBL13833927 0.75 HRH1 (0.44) ALDH1A1KDM4EBCHE
SCHEMBL12479391 0.75 GRIN1 (0.43) ALDH1A1KDM4EBCHE
SCHEMBL17119768 0.73 KMT2A (0.38) KMT2AMEN1LMNAALDH1A1NPSR1
SCHEMBL12480762 0.73 SIRT2 (0.36) KMT2AMEN1
SCHEMBL13833949 0.72 HTR6 (0.50) BCHE

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-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2015-09-24 US disclosed
US-9006263-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 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-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 SCARB1 786/4885RORC 875/4885KMT2A 2261/4885

“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.