SCHEMBL17176291

SCHEMBL17176291

CNC(=O)CN1CCC(C)(C)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 2/20 0.38
PIK3CA P42336 2/20 0.38
ALDH1A1 P00352 5/20 0.34
OPRM1 P35372 3/20 0.34
OPRL1 P41146 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
POLB P06746 1/20 0.31
CYP2C19 P33261 1/20 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
SCHEMBL12311368 0.81 HRH3 (0.36) PIK3R1PIK3CAALDH1A1SMN1; SMN2CHRM5
SCHEMBL17173121 0.81 CHRM5 (0.35) PIK3R1PIK3CAALDH1A1OPRM1OPRL1
SCHEMBL17173119 0.81 CHRM5 (0.35) PIK3R1PIK3CAALDH1A1OPRM1OPRL1
SCHEMBL18980526 0.78 HSD17B10 (0.42) ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL19010253 0.77 CHRM5 (0.40) ALDH1A1SMN1; SMN2KDM4ETSHRCHRM5
SCHEMBL13214851 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4ENPSR1CHRM5
SCHEMBL17176295 0.76 KDM4E (0.45) PIK3R1PIK3CAALDH1A1SMN1; SMN2MEN1
SCHEMBL13986224 0.74 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4ECHRM5CHRM3
SCHEMBL17176024 0.73 ALDH1A1 (0.45) PIK3R1PIK3CAALDH1A1OPRM1OPRL1
SCHEMBL6039740 0.73

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
WO-2015155624-A1 DIHYDROPYRROLOPYRIMIDINE DERIVATIVES PFIZER INC. (US) 2015-10-15 WO 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 1837/4885ALDH1A1 851/4885

“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.