SCHEMBL4516967

SCHEMBL4516967

N#CCOc1ccccc1CC1CCN(C2CCCCC2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.56
C5AR1 P21730 1/20 0.42
ALDH1A1 P00352 3/20 0.38
TP53 P04637 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
ROCK2 O75116 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP2D6 P10635 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
SCHEMBL4516874 0.85 HSD11B1 (0.60) HSD11B1C5AR1ALDH1A1TP53GAA
SCHEMBL4499638 0.84 HSD11B1 (0.58) HSD11B1C5AR1ALDH1A1TP53GAA
SCHEMBL4504654 0.83 HSD11B1 (0.67) HSD11B1ALDH1A1TP53GAANPSR1
SCHEMBL4501841 0.83 HSD11B1 (0.60) HSD11B1ALDH1A1TP53GAANPSR1
SCHEMBL4509821 0.83 HSD11B1 (0.57) HSD11B1C5AR1ALDH1A1TP53GAA
SCHEMBL4508316 0.83 HSD11B1 (0.49) HSD11B1C5AR1ALDH1A1GAALMNA
SCHEMBL2989132 0.82 HSD11B1 (0.62) HSD11B1ALDH1A1TP53GAANPSR1
SCHEMBL3547158 0.81 HSD11B1 (0.60) HSD11B1C5AR1ALDH1A1TP53GAA
SCHEMBL3545151 0.80 HSD11B1 (0.62) HSD11B1C5AR1ALDH1A1NPSR1OPRM1
SCHEMBL4515331 0.80 HSD11B1 (0.53) HSD11B1ALDH1A1TP53GAANPSR1

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 1/4885C5AR1 2259/4885ALDH1A1 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.