SCHEMBL799382

SCHEMBL799382

CC(C)c1cncc(OC2CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
MAP4K4 O95819 2/20 0.36
OGA O60502 2/20 0.36
IKBKB O14920 1/20 0.35
FDPS P14324 1/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
CHUK O15111 1/20 0.34
DYRK3 O43781 1/20 0.34
ROCK2 O75116 1/20 0.34
PIM1 P11309 1/20 0.34
PRKACA P17612 1/20 0.34
RPS6KB1 P23443 1/20 0.34
AKT1 P31749 1/20 0.34
CLK2 P49760 1/20 0.34
PRKX P51817 1/20 0.34
PRKG2 Q13237 1/20 0.34
ROCK1 Q13464 1/20 0.34
DYRK1A Q13627 1/20 0.34

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
SCHEMBL19287832 0.88 TGFBR1 (0.43) OGA
SCHEMBL24690081 0.85 P2RX3 (0.34) CHRNB2CHRNA4OGA
SCHEMBL19633721 0.82 CYP11B2 (0.53) IKBKBCHUK
SCHEMBL19633902 0.82 HRH3 (0.46)
SCHEMBL15713189 0.79 ACACB (0.36)
SCHEMBL15996726 0.76 CHRNB2 (0.45) CHRNB2CHRNA4MAP4K4PDGFRBPDGFRA
SCHEMBL84380 0.75 CYP3A4 (0.43) CHRNB2CHRNA4MAP4K4ROCK2PRKACA
SCHEMBL10141670 0.75 KDM1A (0.42) CHRNB2CHRNA4
SCHEMBL10141614 0.74 CYP11B1 (0.43) CHRNB2CHRNA4
SCHEMBL25646482 0.74 CHRNB2 (0.32) CHRNB2CHRNA4

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-11787810-B2 Diacylglyceride O-acyltransferase 2 inhibitors MERCK SHARP & DOHME LLC (US) 2023-10-17 US disclosed
US-20210363147-A1 NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-11-25 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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 (3 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-11787810-B2 Diacylglyceride O-acyltransferase 2 inhibitors DGAT2, DGAT1, ACAT2 CHRNB2 3208/4885CHRNA4 4536/4885MAP4K4 2415/4885
US-20210363147-A1 NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS DGAT2, DGAT1, ACAT2 CHRNB2 3173/4885CHRNA4 4520/4885MAP4K4 2260/4885
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 CHRNB2 4863/4885CHRNA4 4869/4885MAP4K4 265/4885

“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.