SCHEMBL4501753

SCHEMBL4501753

O=C1C(Cc2ccc(NCCO)cc2Cl)CCN1C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
P2RX7 Q99572 4/20 0.38
ALDH1A1 P00352 4/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
EPHX2 P34913 1/20 0.33
POLB P06746 1/20 0.33

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
Hydrochloric Acid SCHEMBL4525353 0.99 HSD11B1 (0.47) HSD11B1P2RX7ALDH1A1OPRM1OPRK1
SCHEMBL4508949 0.88 HSD11B1 (0.43) HSD11B1P2RX7ALDH1A1HPGDSMN1; SMN2
SCHEMBL4514220 0.86 HSD11B1 (0.51) HSD11B1P2RX7ALDH1A1HPGDSMN1; SMN2
SCHEMBL4513595 0.85 HSD11B1 (0.46) HSD11B1ALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL4509056 0.85 HSD11B1 (0.43) HSD11B1P2RX7ALDH1A1HPGDPOLB
SCHEMBL4516764 0.85 HSD11B1 (0.60) HSD11B1P2RX7OPRM1OPRK1OGFRL1
SCHEMBL3000838 0.83 HSD11B1 (0.57) HSD11B1P2RX7ALDH1A1SMN1; SMN2LMNA
SCHEMBL4505773 0.82 NPC1 (0.53) HSD11B1ALDH1A1SMN1; SMN2LMNA
SCHEMBL13675546 0.82 HSD11B1 (0.55) HSD11B1P2RX7ALDH1A1SMN1; SMN2LMNA
SCHEMBL4524568 0.82 GAA (0.47) HSD11B1HPGDEPHX2

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 1/4885P2RX7 3946/4885ALDH1A1 51/4885

“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.