SCHEMBL4177220

SCHEMBL4177220

CC(C)(C)OC(=O)N1CCC(c2ccc(OCC#N)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.60
NAMPT P43490 1/20 0.52
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MMP1 P03956 1/20 0.46
MMP13 P45452 1/20 0.46
ADAM17 P78536 1/20 0.46
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
PTK2 Q05397 1/20 0.46
RET P07949 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 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
SCHEMBL14162010 0.86 GPR119 (0.44) GPR119NAMPTMMP1MMP13ADAM17
SCHEMBL19160548 0.84 NAMPT (0.55) GPR119NAMPTDDB1CRBNALDH1A1
SCHEMBL6132557 0.84 GPR119 (0.64) GPR119NAMPTDDB1CRBNJAK2
SCHEMBL17825455 0.83 GPR119 (0.62) GPR119NAMPTDDB1CRBNJAK2
SCHEMBL22117671 0.83 GPR119 (0.56) GPR119NAMPTDDB1CRBNALDH1A1
SCHEMBL23411133 0.82 LIPE (0.57) GPR119NAMPTDDB1CRBNALDH1A1
SCHEMBL17485809 0.82 GPR119 (0.58) GPR119NAMPTDDB1CRBNALDH1A1
SCHEMBL22137691 0.81 GPR119 (0.57) GPR119NAMPTDDB1CRBNALDH1A1
SCHEMBL7871974 0.81 ALDH1A1 (0.67) GPR119NAMPTALDH1A1KDM4EMEN1
SCHEMBL27966395 0.81 GPR119 (0.71) GPR119NAMPTALDH1A1RETMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019043372-A1 SUBSTITUTES SULFONYL AZACYCLES AS MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2019-03-07 WO disclosed
US-20090105305-A1 Therapeutic Agents - 550 ASTRAZENECA AB (SE) 2009-04-23 US disclosed
US-20090105305-A1 Therapeutic Agents - 550 ASTRAZENECA AB (SE) 2009-04-23 US disclosed
US-20090105305-A1 Therapeutic Agents - 550 ASTRAZENECA AB (SE) 2009-04-23 US disclosed
WO-2008075070-A1 SULFONAMIDE DERIVATIVES FOR THERAPEUTIC USE AS FATTY ACID SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 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-20090105305-A1 Therapeutic Agents - 550 FABP4, GPR119, FASN GPR119 2/4885NAMPT 211/4885DDB1 4270/4885

“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.