SCHEMBL4511944

SCHEMBL4511944

O=C(Nc1ccc(CC2CCN(C3CCCCC3)C2=O)c(Cl)c1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.52
ACKR3 P25106 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
CHRM1 P11229 1/20 0.45
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
HSD17B1 P14061 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CNR1 P21554 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
NPY2R P49146 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ACHE P22303 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL4514423 0.88 CHRM1 (0.43) HSD11B1ACKR3NPC1RAB9ACHRM1
SCHEMBL4513595 0.85 HSD11B1 (0.46) HSD11B1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3000838 0.85 HSD11B1 (0.57) HSD11B1TP53NPY2RALDH1A1SMN1; SMN2
SCHEMBL4510127 0.85 HSD11B1 (0.47) HSD11B1TP53KMT2AMEN1KDM4E
SCHEMBL4505773 0.84 NPC1 (0.53) HSD11B1NPC1RAB9AMAPTTP53
SCHEMBL2996278 0.84 HSD11B1 (0.56) HSD11B1NPC1RAB9AMAPTTP53
SCHEMBL4519747 0.84 HSD11B1 (0.46) HSD11B1NPC1RAB9AKMT2AMEN1
SCHEMBL4516607 0.83 HSD11B1 (0.44) HSD11B1NPC1RAB9AKMT2AMEN1
SCHEMBL4516764 0.82 HSD11B1 (0.60) HSD11B1ACHESMN1; SMN2
SCHEMBL4515294 0.82 HSD11B1 (0.43) HSD11B1NPC1RAB9AMAPTKMT2A

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 1/4885ACKR3 3283/4885NPC1 286/4885

“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.