SCHEMBL17546316

SCHEMBL17546316

CC1CCN(C(=O)CC2CCOCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ NAMPT P43490 3/20 0.49
▸ RAB9A P51151 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PHGDH O43175 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ HPGD P15428 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL19913941 0.90 ALDH1A1 (0.45) ALDH1A1NPC1NAMPTRAB9ALMNA
SCHEMBL12970 0.90 ALDH1A1 (0.45) ALDH1A1NPC1NAMPTRAB9ALMNA
SCHEMBL12449702 0.90 ALDH1A1 (0.45) ALDH1A1NPC1NAMPTRAB9ALMNA
SCHEMBL13451572 0.87 ALDH1A1 (0.62) ALDH1A1NPC1NAMPTRAB9ALMNA
SCHEMBL13469911 0.85 NAMPT (0.44) ALDH1A1NAMPTLMNATLR9TLR8
SCHEMBL13097128 0.84 NAMPT (0.43) NAMPTTLR9TLR8TLR7TSHR
SCHEMBL8258158 0.84 ALDH1A1 (0.58) ALDH1A1NPC1NAMPTKDM4EMEN1
SCHEMBL12522667 0.84 NAMPT (0.45) ALDH1A1NAMPTLMNAKDM4EMEN1
SCHEMBL23205790 0.83 NPC1 (0.59) ALDH1A1NPC1RAB9ALMNAKDM4E
SCHEMBL13779970 0.83 NAMPT (0.45) NAMPTTSHRL3MBTL1ALOX15HSD17B10

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
EP-3027603-B1 HETEROBICYCLOARYL RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER (US) 2018-07-18 — — EP disclosed
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2017-08-17 — — US disclosed
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER (US) 2016-02-18 — — 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 (2 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-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA ALDH1A1 576/4885NPC1 253/4885NAMPT 1166/4885
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA ALDH1A1 576/4885NPC1 253/4885NAMPT 1166/4885

“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.

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