SCHEMBL17356151

SCHEMBL17356151

Cc1cc(-n2ccc(C(C)C)n2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 1/20 0.39
UHRF1 Q96T88 1/20 0.37
RXRA P19793 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
IRAK4 Q9NWZ3 2/20 0.34
PDE10A Q9Y233 1/20 0.32
CASR P41180 4/20 0.32
SLC6A9 P48067 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
GRM5 P41594 1/20 0.31
HTT P42858 1/20 0.30
MAPK1 P28482 3/20 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
SCHEMBL21887849 0.83 ELOVL1 (0.38) ELOVL1CASRKDM4E
SCHEMBL23368131 0.83 ELOVL1 (0.40) ELOVL1RXRAGRIN1GRIN2BCASR
SCHEMBL21805818 0.83 CASR (0.34) RXRAGRIN1GRIN2BCASRKCNH2
SCHEMBL15935038 0.81 RAB9A (0.47) ELOVL1UHRF1RXRAGRIN1GRIN2B
SCHEMBL22041242 0.81 RAB9A (0.41) ELOVL1KDM4EALDH1A1GAAMAPT
SCHEMBL17356153 0.79 AR (0.43) RXRAGRIN1GRIN2BCASR
SCHEMBL23176116 0.78 CASR (0.40) ELOVL1IRAK4PDE10ACASRHTT
SCHEMBL15980626 0.77 NOTUM (0.40) PDE10ACASRKDM4EALDH1A1GAA
SCHEMBL15924047 0.77 ELOVL1 (0.40) ELOVL1UHRF1RXRAGRIN1GRIN2B
SCHEMBL20242276 0.77 ELOVL1 (0.40) ELOVL1UHRF1RXRAGRIN1GRIN2B

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-9695198-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-07-04 US disclosed
US-20150368269-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-24 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-20150368269-A1 Factor IXa Inhibitors F9, TFPI, F13B ELOVL1 4187/4885UHRF1 4344/4885RXRA 701/4885

“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.