SCHEMBL4516396

SCHEMBL4516396

COCOc1ccc(CC2CCN(N3CCCCC3)C2=O)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
FFAR1 O14842 1/20 0.32
HPGD P15428 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ROCK2 O75116 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL4509869 0.90 HTR1A (0.42) HTR1ASLC6A4OPRM1OPRD1OPRK1
SCHEMBL4519244 0.83 HSD11B1 (0.47) HTR1ASLC6A4OPRM1OPRD1OPRK1
SCHEMBL3878989 0.81 KMT2A (0.39) FFAR1SIGMAR1
SCHEMBL4511067 0.81 CYP24A1 (0.36) OPRM1OPRD1OPRK1KDM4EPOLB
SCHEMBL4517686 0.79 CYP26A1 (0.35) FFAR1ROCK2
Hydrochloric Acid SCHEMBL2065599 0.78 ALDH1A1 (0.34) HTR1ASLC6A4HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL2065245 0.78 ALDH1A1 (0.34) HTR1ASLC6A4HCRTR1HCRTR2
SCHEMBL4510108 0.77 ALDH1A1 (0.43) KDM4EMAOA
SCHEMBL4514386 0.74 HSD11B1 (0.46) HTR1ASLC6A4OPRM1OPRD1OPRK1
SCHEMBL4521693 0.74 KDM4E (0.41) OPRM1OPRD1OPRK1KDM4EPOLB

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 HTR1A 2331/4885SLC6A4 1689/4885OPRM1 3446/4885

“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.