SCHEMBL4514552

SCHEMBL4514552

O=C1C(Cc2c(Cl)cccc2Cl)CCN1[C@H]1CC[C@H](O)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.48
LMNA P02545 2/20 0.39
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
SCN9A Q15858 1/20 0.34
CYP3A4 P08684 3/20 0.33
MEN1 O00255 2/20 0.33
TSHR P16473 2/20 0.33
P2RX7 Q99572 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL2989122 1.00 HSD11B1 (0.48) HSD11B1LMNAKMT2AALDH1A1MAPT
SCHEMBL2989117 1.00 HSD11B1 (0.48) HSD11B1LMNAKMT2AALDH1A1MAPT
SCHEMBL2989225 0.93 LMNA (0.46) HSD11B1LMNAKMT2AALDH1A1MAPT
SCHEMBL2991612 0.93 HSD11B1 (0.44) HSD11B1LMNAKMT2AALDH1A1MAPT
SCHEMBL2989228 0.93 LMNA (0.46) HSD11B1LMNAKMT2AALDH1A1MAPT
SCHEMBL2999361 0.93 LMNA (0.46) HSD11B1LMNAKMT2AALDH1A1MAPT
SCHEMBL2992083 0.93 HSD11B1 (0.44) HSD11B1LMNAKMT2AALDH1A1MAPT
SCHEMBL2994425 0.89 HSD11B1 (0.41) HSD11B1LMNAKMT2ACYP3A4MEN1
SCHEMBL2994420 0.89 HSD11B1 (0.41) HSD11B1LMNAKMT2ACYP3A4MEN1
SCHEMBL4511224 0.87 HSD11B1 (0.46) HSD11B1LMNAKMT2AALDH1A1MAPT

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 1/4885LMNA 2846/4885KMT2A 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.