SCHEMBL4169013

SCHEMBL4169013

CC(C)(C)OC(=O)C1CCN(c2nc(CN3CCCC3=O)c(C(=O)F)cc2Cl)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.34
MAPT P10636 4/20 0.33
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 3/20 0.32
KDM4E B2RXH2 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
POLB P06746 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
MAPK1 P28482 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
CNR1 P21554 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
SCHEMBL4171958 0.92 MAPK1 (0.35) RORCMAPTALDH1A1NPC1LMNA
SCHEMBL4165173 0.91 OPRK1 (0.35) RORCMAPTALDH1A1LMNAKDM4E
SCHEMBL4179105 0.89 P2RY12 (0.34) RORCMAPTALDH1A1NPC1LMNA
SCHEMBL4892954 0.89 MAPT (0.39) MAPTALDH1A1NPC1LMNAKDM4E
SCHEMBL4805982 0.88 OPRK1 (0.35) RORCMAPTLMNAMALT1KMT2A
SCHEMBL4183735 0.88 MAPT (0.33) RORCMAPTALDH1A1NPC1LMNA
SCHEMBL4168148 0.87 ALDH1A1 (0.40) MAPTALDH1A1LMNAKDM4EHSD17B10
SCHEMBL4172553 0.87 NOTUM (0.36) RORCLMNAKDM4EHSD17B10HPGD
SCHEMBL4168805 0.86 RORC (0.32) RORCMAPT
SCHEMBL4161653 0.86 TNF (0.32) RORCMAPTALDH1A1NPC1MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018166-A1 New Pyridine Analogues X 161 ASTRAZENECA AB (SE) 2009-01-15 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-20090018166-A1 New Pyridine Analogues X 161 P2RY12, P2RY11, P2RY1 RORC 460/4885MAPT 3645/4885ALDH1A1 1717/4885

“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.