SCHEMBL17173170

SCHEMBL17173170

CC(C)[C@@]1(C)CCN(C(=O)[C@@H]2CCOC2)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 4/20 0.39
PIK3CA P42336 4/20 0.39
EPHX2 P34913 3/20 0.39
HRH3 Q9Y5N1 3/20 0.38
CNR2 P34972 1/20 0.35
NAMPT P43490 4/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRM5 P41594 1/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL17173171 1.00 PIK3R1 (0.39) PIK3R1PIK3CAEPHX2HRH3CNR2
SCHEMBL17176111 0.84 PIK3R1 (0.45) PIK3R1PIK3CAEPHX2HRH3CNR2
SCHEMBL17176113 0.84 PIK3R1 (0.45) PIK3R1PIK3CAEPHX2HRH3CNR2
SCHEMBL17173056 0.84 GRM5 (0.42) HRH3ALDH1A1GRM5LMNAMAPK1
SCHEMBL17173068 0.81 GRM5 (0.51) HRH3ALDH1A1CYP2C19GRM5LMNA
SCHEMBL17173065 0.81 GRM5 (0.51) HRH3ALDH1A1CYP2C19GRM5LMNA
SCHEMBL17173082 0.80 PIK3R1 (0.34) PIK3R1PIK3CAHRH3ALDH1A1CYP2C19
SCHEMBL25810418 0.79 EPHX2 (0.43) PIK3R1PIK3CAEPHX2HRH3CNR2
SCHEMBL17173069 0.77 PIK3R1 (0.34) PIK3R1PIK3CAGRM5
SCHEMBL17173080 0.77 PIK3R1 (0.34) PIK3R1PIK3CAGRM5

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-9260439-B2 Dihydropyrrolopyrimidine derivatives PFIZER INC. (US) 2016-02-16 US disclosed
US-20150291604-A1 DIHYDROPYRROLOPYRIMIDINE DERIVATIVES PFIZER (US) 2015-10-15 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-20150291604-A1 DIHYDROPYRROLOPYRIMIDINE DERIVATIVES DPYD, TPD52L2, DTYMK PIK3R1 2181/4885PIK3CA 1837/4885EPHX2 848/4885

“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.