SCHEMBL4508949

SCHEMBL4508949

O=C(NCCO)Nc1ccc(CC2CCN(C3CCCCC3)C2=O)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
P2RX7 Q99572 2/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 1/20 0.39
CNR1 P21554 1/20 0.38
CCR3 P51677 2/20 0.37
POLB P06746 1/20 0.37
MCHR1 Q99705 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 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
SCHEMBL4516607 0.90 HSD11B1 (0.44) HSD11B1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4519747 0.89 HSD11B1 (0.46) HSD11B1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4501753 0.88 HSD11B1 (0.48) HSD11B1P2RX7SMN1; SMN2EPHX2POLB
Hydrochloric Acid SCHEMBL4525353 0.87 HSD11B1 (0.47) HSD11B1P2RX7SMN1; SMN2EPHX2POLB
SCHEMBL4513595 0.86 HSD11B1 (0.46) HSD11B1SMN1; SMN2POLBMCHR1ALDH1A1
SCHEMBL4506137 0.86 ALDH1A1 (0.51) HSD11B1P2RX7RAB9ANPC1TSHR
SCHEMBL4515294 0.85 HSD11B1 (0.43) HSD11B1KMT2AP2RX7RAB9ANPC1
SCHEMBL4519984 0.84 HTT (0.40) HSD11B1MEN1KMT2AP2RX7RAB9A
SCHEMBL4505773 0.83 NPC1 (0.53) HSD11B1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL4511944 0.82 HSD11B1 (0.52) HSD11B1MEN1KMT2ARAB9ANPC1

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 HSD11B1 1/4885MEN1 1254/4885KMT2A 2379/4885

“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.