SCHEMBL18172806

SCHEMBL18172806

CC(C)(C)OC(=O)N1CC(n2cc(CO)cn2)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.44
GPR119 Q8TDV5 4/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
RET P07949 2/20 0.39
SCN9A Q15858 1/20 0.39
NAMPT P43490 1/20 0.38
USP30 Q70CQ3 1/20 0.37
PIK3CA P42336 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
JAK3 P52333 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
SCHEMBL18712866 0.90 GPR119 (0.41) NR1H2GPR119DDB1CRBNRET
SCHEMBL30890232 0.88 DDB1 (0.54) GPR119DDB1CRBNJAK3
SCHEMBL21088324 0.83 DDB1 (0.42) NR1H2GPR119DDB1CRBNRET
SCHEMBL25326690 0.83 DDB1 (0.43) NR1H2GPR119DDB1CRBNRET
SCHEMBL11946807 0.83 DDB1 (0.43) NR1H2GPR119DDB1CRBNSCN9A
SCHEMBL24990092 0.82 DDB1 (0.43) NR1H2GPR119DDB1CRBNSCN9A
SCHEMBL22585504 0.82 DDB1 (0.43) NR1H2GPR119DDB1CRBNRET
SCHEMBL23511226 0.82 DDB1 (0.43) NR1H2GPR119DDB1CRBNRET
SCHEMBL3598372 0.82 KDM5A (0.43) NR1H2GPR119DDB1CRBNRET
SCHEMBL985090 0.82 MPO (0.46) NR1H2GPR119DDB1CRBNRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023067353-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-04-27 WO disclosed
EP-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
EP-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
US-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-10-11 US disclosed
EP-3286172-A1 LSD1 INHIBITORS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2018-02-28 EP disclosed
WO-2016172496-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-10-27 WO disclosed
WO-2016172496-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-10-27 WO 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-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF KDM1B, KDM1A, KDM2A NR1H2 112/4885GPR119 262/4885DDB1 1812/4885

“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.