SCHEMBL4514686

SCHEMBL4514686

O=C1C(Cc2ccc(OCCN3CCCC3)cc2Cl)CCN1C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
POLB P06746 1/20 0.50
HRH3 Q9Y5N1 5/20 0.46
HSD11B1 P28845 1/20 0.46
LTA4H P09960 1/20 0.45
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43
SIGMAR1 Q99720 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MCHR1 Q99705 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL4510988 0.92 KDM4E (0.53) KDM4EPOLBHRH3HSD11B1SIGMAR1
SCHEMBL3546880 0.92 HRH3 (0.46) KDM4EPOLBHRH3HSD11B1LTA4H
Hydrochloric Acid SCHEMBL2988943 0.92 HRH3 (0.45) KDM4EPOLBHRH3HSD11B1LTA4H
SCHEMBL3547166 0.89 HRH3 (0.45) KDM4EPOLBHRH3ESR1ESR2
Hydrochloric Acid SCHEMBL3000685 0.88 HRH3 (0.44) KDM4EPOLBHRH3ESR1ESR2
SCHEMBL4525800 0.88 HSD11B1 (0.47) KDM4EPOLBHRH3HSD11B1ALDH1A1
SCHEMBL13674511 0.88 HSD11B1 (0.47) KDM4EPOLBHSD11B1MAOB
SCHEMBL4516252 0.87 HSD11B1 (0.55) KDM4EPOLBHRH3HSD11B1MAOB
SCHEMBL4520465 0.87 HPGD (0.48) KDM4EPOLBHRH3HSD11B1
SCHEMBL4514386 0.87 HSD11B1 (0.46) KDM4EHRH3HSD11B1

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 5 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
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 KDM4E 2703/4885POLB 2628/4885HRH3 3961/4885

“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.