SCHEMBL17176113

SCHEMBL17176113

CC1(C)CCN(C(=O)[C@H]2CCOC2)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 4/20 0.45
PIK3CA P42336 4/20 0.45
EPHX2 P34913 3/20 0.42
CNR2 P34972 1/20 0.38
GRM5 P41594 1/20 0.37
NAMPT P43490 5/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD11B1 P28845 1/20 0.37
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL17176111 1.00 PIK3R1 (0.45) PIK3R1PIK3CAEPHX2CNR2GRM5
SCHEMBL25810418 0.92 EPHX2 (0.43) PIK3R1PIK3CAEPHX2CNR2NAMPT
SCHEMBL25810419 0.88 HSD11B1 (0.40) PIK3R1PIK3CAEPHX2CNR2GRM5
SCHEMBL17173170 0.84 PIK3R1 (0.39) PIK3R1PIK3CAEPHX2CNR2GRM5
SCHEMBL17173171 0.84 PIK3R1 (0.39) PIK3R1PIK3CAEPHX2CNR2GRM5
SCHEMBL25840973 0.83 CNR2 (0.45) PIK3R1PIK3CAEPHX2CNR2LMNA
SCHEMBL25810405 0.81 TSHR (0.49) LMNAMAPK1ALDH1A1L3MBTL1NPSR1
SCHEMBL25810420 0.81 EPHX2 (0.41) PIK3R1PIK3CAEPHX2CNR2GRM5
SCHEMBL17177244 0.81 GRM5 (0.49) GRM5LMNAMAPK1HSD11B1ALDH1A1
SCHEMBL26159929 0.80 EPHX2 (0.47) PIK3R1PIK3CAEPHX2CNR2NAMPT

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-9260439-B2 Dihydropyrrolopyrimidine derivatives PFIZER INC. (US) 2016-02-16 US disclosed
US-20150291604-A1 DIHYDROPYRROLOPYRIMIDINE DERIVATIVES PFIZER (US) 2015-10-15 US disclosed
WO-2015155624-A1 DIHYDROPYRROLOPYRIMIDINE DERIVATIVES PFIZER INC. (US) 2015-10-15 WO 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.