SCHEMBL3014291

SCHEMBL3014291

COc1ccc([C@@H](O)[C@H](C)NC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.49
GPR88 Q9GZN0 1/20 0.49
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
ACACB O00763 1/20 0.47
CNR2 P34972 1/20 0.47
PTGS2 P35354 3/20 0.44
AKR1C3 P42330 3/20 0.44
AKR1C2 P52895 3/20 0.44
PTGS1 P23219 2/20 0.44
CDC42 P60953 1/20 0.44
RAC1 P63000 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL19975546 1.00 NPY5R (0.49) NPY5RGPR88KMT2ANPSR1MEN1
SCHEMBL3014293 1.00 NPY5R (0.49) NPY5RGPR88KMT2ANPSR1MEN1
SCHEMBL18082662 0.87 ACACB (0.57) NPY5RGPR88KMT2ANPSR1MEN1
SCHEMBL28157260 0.84 MEN1 (0.45) NPY5RGPR88KMT2ANPSR1MEN1
SCHEMBL8742437 0.83 SMN1; SMN2 (0.50) GPR88KMT2ANPSR1MEN1RAB9A
SCHEMBL836188 0.81 HTR1A (0.54) NPY5RKMT2AMEN1ALDH1A1HTR1A
SCHEMBL836189 0.81 HTR1A (0.54) NPY5RKMT2AMEN1ALDH1A1HTR1A
SCHEMBL4774977 0.81 CNR2 (0.47) NPY5RGPR88KMT2ANPSR1MEN1
SCHEMBL17334054 0.81 ACACB (0.62) KMT2ANPSR1MEN1RAB9AACACB
SCHEMBL16164987 0.80 ADRA2C (0.62) NPY5RKMT2ANPSR1MEN1CYP1A2

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
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
EP-2102169-B1 INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2012-06-20 EP disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 NPY5R 2310/4885GPR88 658/4885KMT2A 4171/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 NPY5R 2310/4885GPR88 658/4885KMT2A 4171/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 NPY5R 2310/4885GPR88 658/4885KMT2A 4171/4885

“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.