SCHEMBL17176221

SCHEMBL17176221

CN(C)CC(=O)N1CCC(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
PIK3R1 P27986 2/20 0.38
PIK3CA P42336 2/20 0.38
ALDH1A1 P00352 1/20 0.37
SPR P35270 1/20 0.36
OPRM1 P35372 5/20 0.35
OPRL1 P41146 4/20 0.35
TACR1 P25103 1/20 0.34
RORC P51449 2/20 0.33
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
GRM5 P41594 1/20 0.31
JAK1 P23458 2/20 0.31
JAK2 O60674 1/20 0.31
NAMPT P43490 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
SCHEMBL25840967 0.90 KDM4E (0.40) KDM4EPIK3R1PIK3CAALDH1A1TACR1
SCHEMBL25810460 0.88 ALDH1A1 (0.42) KDM4EPIK3R1PIK3CAALDH1A1RORC
SCHEMBL17173025 0.81 KDM4E (0.35) KDM4EPIK3R1PIK3CAALDH1A1OPRM1
SCHEMBL17173026 0.81 KDM4E (0.35) KDM4EPIK3R1PIK3CAALDH1A1OPRM1
SCHEMBL19502797 0.79 KDM1A (0.43) KDM4EPIK3R1PIK3CAALDH1A1OPRM1
SCHEMBL16621834 0.78 ALDH1A1 (0.55) PIK3R1PIK3CAALDH1A1SPROPRM1
SCHEMBL19502796 0.77 KDM4E (0.36) KDM4EPIK3R1PIK3CAOPRM1TACR1
SCHEMBL25931529 0.76 CYP1A2 (0.44) OPRM1OPRL1NAMPT
SCHEMBL18460887 0.76 SPR (0.37) ALDH1A1SPROPRM1OPRL1NAMPT
SCHEMBL11892690 0.74 OPRM1 (0.47) ALDH1A1SPROPRM1OPRL1

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 KDM4E 512/4885PIK3R1 2181/4885PIK3CA 1837/4885

“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.