SCHEMBL20006775

SCHEMBL20006775

CC(C)C1CCN(C(=O)c2cccc(O)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNE Q9Y223 1/20 0.46
HSD11B1 P28845 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SCD5 Q86SK9 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KDM5A P29375 1/20 0.37
LANCL2 Q9NS86 1/20 0.37
ACHE P22303 1/20 0.37
MGLL Q99685 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL17540512 0.86 KMT2A (0.47) GNEHSD11B1RAB9AKDM5APDE5A
SCHEMBL17546293 0.84 HSD11B1 (0.61) GNEHSD11B1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL22874995 0.73 CHRNA4 (0.51) SMN1; SMN2L3MBTL1SCD5ALDH1A1NPC1
SCHEMBL2603247 0.73 ACHE (0.68) HSD11B1SMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL17540493 0.72 KDM5A (0.47) L3MBTL1KDM5AEPHX2
SCHEMBL1810121 0.72 EPHX2 (0.48) HSD11B1SCD5ALDH1A1HRH3EPHX2
SCHEMBL19106730 0.72 RECQL (0.54) SMN1; SMN2MAPK1ALDH1A1NPC1ACHE
SCHEMBL17540495 0.72 CHRM2 (0.41) L3MBTL1ALDH1A1KDM5AACHEEPHX2
SCHEMBL22874812 0.71 PIK3CD (0.51) SMN1; SMN2KDM5A
SCHEMBL3111288 0.71 RBP4 (0.73) HSD11B1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2020-02-06 US disclosed
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2018-03-29 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-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA GNE 4198/4885HSD11B1 52/4885SMN1; SMN2 3833/4885
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA GNE 4198/4885HSD11B1 52/4885SMN1; SMN2 3833/4885

“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.