SCHEMBL299875

SCHEMBL299875

CC(C)(C)OC(=O)N1CCc2nc(C(=O)O)ccc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
DHODH Q02127 1/20 0.38
MPO P05164 1/20 0.37
GPR119 Q8TDV5 6/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
IDO1 P14902 3/20 0.36
CHRM4 P08173 1/20 0.36
DRD2 P14416 1/20 0.36
HTR7 P34969 1/20 0.36
MAPT P10636 2/20 0.35
GRM5 P41594 1/20 0.35
KCNH2 Q12809 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
UCHL1 P09936 1/20 0.35

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
SCHEMBL758592 0.87 HDAC1 (0.44) KDM1AMPOGPR119HDAC1HDAC6
SCHEMBL759155 0.86 KDM1A (0.39) KDM1AMPOGPR119HDAC1HDAC6
SCHEMBL29173113 0.84 KDM1A (0.43) KDM1AMPOGPR119HDAC1HDAC6
SCHEMBL27061519 0.83 MPO (0.44) KDM1ADHODHMPOGPR119HDAC1
SCHEMBL22397607 0.83 UCHL1 (0.40) KDM1ADHODHMPOGPR119HDAC1
SCHEMBL22397739 0.82 MPO (0.42) KDM1AMPOGPR119HDAC1HDAC6
SCHEMBL27437947 0.82 CHRM4 (0.40) KDM1AMPOGPR119HDAC1HDAC6
SCHEMBL20572183 0.80 IDO1 (0.44) KDM1AMPOGPR119HDAC1HDAC6
SCHEMBL29133297 0.80 KDM4E (0.38) IDO1KCNH2
SCHEMBL27145098 0.80 MPO (0.40) KDM1ADHODHMPOGPR119HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427450-A1 GPR 119 MODULATORS Pfizer Inc. (US) 2012-03-14 EP disclosed
EP-2427448-A1 Gpr 119 modulators Pfizer Inc. (US) 2012-03-14 EP disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
WO-2010128414-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
WO-2010128425-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 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-20120052130-A1 GPR 119 MODULATORS GPR119, GPR39, GPR65 KDM1A 3691/4885DHODH 3930/4885MPO 3364/4885
US-20100285145-A1 GPR 119 MODULATORS GPR119, GPR65, GPR39 KDM1A 3574/4885DHODH 3699/4885MPO 3319/4885

“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.