SCHEMBL16638428

SCHEMBL16638428

Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
HRH1 P35367 7/20 0.47
HTR6 P50406 7/20 0.47
LMNA P02545 2/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
BCHE P06276 3/20 0.43
GAA P10253 1/20 0.42
NTSR1 P30989 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.42
ADRA2A P08913 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
SCHEMBL12480260 0.89 HRH1 (0.56) HRH1HTR6BCHEADRA2ADRD2
SCHEMBL16638431 0.89 PTGS1 (0.41) HSD17B10HRH1HTR6LMNAKDM4E
SCHEMBL16638440 0.89 HTR6 (0.40) HSD17B10HRH1HTR6LMNAKMT2A
SCHEMBL2185501 0.86 HRH1 (0.66) HRH1HTR6BCHEADRA2ADRD2
SCHEMBL13834322 0.86 HRH1 (0.55) HRH1HTR6BCHEADRA2ADRD2
SCHEMBL13833885 0.86 SIRT2 (0.45) HSD17B10HRH1HTR6LMNABCHE
SCHEMBL13834066 0.86 HRH1 (0.42) HSD17B10HRH1HTR6LMNAKMT2A
SCHEMBL12479819 0.85 HRH1 (0.43) HSD17B10HRH1HTR6LMNAKMT2A
SCHEMBL15570933 0.82 HRH1 (0.49) HRH1HTR6KMT2AMEN1BCHE
SCHEMBL15570873 0.81 AKR1B10 (0.49) HRH1HTR6LMNABCHESMN1; SMN2

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 HSD17B10 724/4885HRH1 93/4885HTR6 47/4885

“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.