SCHEMBL4516607

SCHEMBL4516607

CCNC(=O)Nc1ccc(CC2CCN(C3CCCCC3)C2=O)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
RAB9A P51151 2/20 0.42
EPHX2 P34913 2/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
P2RX7 Q99572 1/20 0.41
CCR3 P51677 3/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL4508949 0.90 HSD11B1 (0.43) HSD11B1RAB9AEPHX2NPC1TSHR
SCHEMBL4519747 0.90 HSD11B1 (0.46) HSD11B1RAB9AEPHX2NPC1TSHR
SCHEMBL4506137 0.89 ALDH1A1 (0.51) HSD11B1RAB9AEPHX2NPC1TSHR
SCHEMBL4519984 0.89 HTT (0.40) HSD11B1RAB9AEPHX2NPC1TSHR
SCHEMBL4515294 0.88 HSD11B1 (0.43) HSD11B1RAB9AEPHX2NPC1TSHR
SCHEMBL4513595 0.85 HSD11B1 (0.46) HSD11B1SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL4505773 0.84 NPC1 (0.53) HSD11B1RAB9ANPC1HTTSMN1; SMN2
SCHEMBL4514220 0.84 HSD11B1 (0.51) HSD11B1RAB9AEPHX2NPC1TSHR
SCHEMBL4511944 0.83 HSD11B1 (0.52) HSD11B1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL4510127 0.83 HSD11B1 (0.47) HSD11B1SMN1; SMN2ALDH1A1KDM4EHPGD

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 1/4885RAB9A 3524/4885EPHX2 670/4885

“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.