SCHEMBL4516453

SCHEMBL4516453

COc1cc(Cl)c(C(O)C2CCN(C3CCCCC3)C2=O)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CNR1 P21554 3/20 0.37
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
TP53 P04637 1/20 0.35
HSD11B1 P28845 1/20 0.34

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
SCHEMBL4519419 0.85 CNR1 (0.40) ALDH1A1CYP1A2POLBCYP3A4CYP2C9
SCHEMBL14365039 0.84 TSHR (0.35) NPSR1PKMTSHRALDH1A1CYP1A2
SCHEMBL4528170 0.78 LMNA (0.36) NPSR1ALDH1A1CYP1A2POLBCYP3A4
SCHEMBL4516886 0.78 TSHR (0.43) NPSR1TSHRALDH1A1CYP1A2POLB
SCHEMBL14365226 0.77 LMNA (0.32) ALDH1A1POLBCNR1LMNAMEN1
SCHEMBL208406 0.76 HSD11B1 (0.51) NPSR1TSHRALDH1A1CYP1A2POLB
SCHEMBL2993417 0.74 NPSR1 (0.45) NPSR1CNR1HSD11B1
SCHEMBL4517793 0.71 HSD11B1 (0.52) NPSR1TSHRALDH1A1CYP1A2POLB
SCHEMBL4523661 0.70 LMNA (0.39) NPSR1TSHRALDH1A1CYP1A2POLB
SCHEMBL4518087 0.69 HSD11B1 (0.52) NPSR1TSHRALDH1A1CYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 NPSR1 2333/4885PKM 2828/4885TSHR 3390/4885

“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.