SCHEMBL17546293

SCHEMBL17546293

CC1CCN(C(=O)c2cccc(O)n2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.61
ACHE P22303 1/20 0.54
HPGD P15428 6/20 0.51
ALDH1A1 P00352 5/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
TP53 P04637 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
GNE Q9Y223 1/20 0.49
LMNA P02545 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TRPC3 Q13507 3/20 0.46
TRPC6 Q9Y210 3/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL13450099 0.85 HSD11B1 (0.61) HSD11B1ACHEHPGDALDH1A1NPC1
SCHEMBL20006775 0.84 GNE (0.46) HSD11B1ACHEHPGDALDH1A1NPC1
SCHEMBL13450575 0.84 HSD11B1 (0.60) HSD11B1ACHEHPGDALDH1A1NPC1
SCHEMBL12751750 0.84 HSD11B1 (0.67) HSD11B1ACHEHPGDALDH1A1NPC1
SCHEMBL2590496 0.84 HSD11B1 (0.60) HSD11B1ACHEHPGDALDH1A1NPC1
SCHEMBL2593742 0.82 HSD11B1 (0.58) HSD11B1ACHEHPGDALDH1A1NPC1
SCHEMBL12753656 0.80 HSD11B1 (0.70) HSD11B1ACHEHPGDALDH1A1NPC1
SCHEMBL2591255 0.79 HSD11B1 (0.56) HSD11B1ACHEHPGDALDH1A1NPC1
SCHEMBL12753393 0.78 HSD11B1 (0.63) HSD11B1ACHEHPGDALDH1A1NPC1
SCHEMBL12753329 0.78 HSD11B1 (0.63) HSD11B1ACHEHPGDALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190144429-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2019-05-16 US disclosed
EP-3428160-A1 HETEROBICYCLOARYL RORC2 INHIBITORS AND METHODS OF USE THEREOF Pfizer Inc (US) 2019-01-16 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 (3 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 HSD11B1 52/4885ACHE 4376/4885HPGD 1088/4885
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA HSD11B1 52/4885ACHE 4376/4885HPGD 1088/4885
US-20190144429-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA HSD11B1 52/4885ACHE 4376/4885HPGD 1088/4885

“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.