SCHEMBL15928286

SCHEMBL15928286

COc1cc(F)c(C(C)C)nc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
PRNP P04156 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
SMPD3 Q9NY59 1/20 0.36
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
CYP1A2 P05177 1/20 0.32
CRHR1 P34998 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL22222467 0.81 POLB (0.42) ALDH1A1MAPTPRNPNPSR1RXFP1
SCHEMBL27752610 0.78 ALDH1A1 (0.43) ALDH1A1MAPTPRNPNPSR1RXFP1
SCHEMBL23333005 0.78 GCGR (0.31)
SCHEMBL13413060 0.77 SMPD3 (0.36) ALDH1A1MAPTP2RX3P2RX2SMPD3
SCHEMBL13394748 0.77 P2RX3 (0.35) P2RX3P2RX2SMPD3
SCHEMBL10244696 0.73 ALDH1A1 (0.40) ALDH1A1MAPTPRNPNPSR1RXFP1
SCHEMBL20780492 0.73 P2RX3 (0.37) ALDH1A1MAPTNPSR1P2RX3P2RX2
SCHEMBL18779070 0.73 GCGR (0.33)
SCHEMBL20780322 0.68 SMPD3 (0.35) P2RX3P2RX2SMPD3SMN1; SMN2KMT2A
SCHEMBL23552747 0.68 TSHR (0.40) ALDH1A1MAPTNPSR1SMPD3L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 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-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP ALDH1A1 3887/4885MAPT 3011/4885PRNP 3574/4885

“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.