SCHEMBL4509869

SCHEMBL4509869

COc1ccc(CC2CCN(N3CCCCC3)C2=O)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.42
SLC6A4 P31645 3/20 0.42
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
CYP24A1 Q07973 3/20 0.38
CYP27A1 Q02318 2/20 0.38
P2RX7 Q99572 2/20 0.37
CYP26A1 O43174 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRNA7 P36544 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36

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
SCHEMBL4516396 0.90 HTR1A (0.35) HTR1ASLC6A4OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL2065245 0.87 ALDH1A1 (0.34) HTR1ASLC6A4ALDH1A1MAPTCYP2D6
Hydrochloric Acid SCHEMBL2065599 0.87 ALDH1A1 (0.34) HTR1ASLC6A4ALDH1A1MAPTCYP2D6
SCHEMBL3878989 0.85 KMT2A (0.39) P2RX7ALDH1A1L3MBTL1
SCHEMBL4517686 0.83 CYP26A1 (0.35) CYP26A1ALDH1A1CHRNA7L3MBTL1
SCHEMBL4510108 0.81 ALDH1A1 (0.43) P2RX7CYP26A1ALDH1A1L3MBTL1PSEN1
SCHEMBL4517793 0.81 HSD11B1 (0.52) HTR1ASLC6A4OPRM1OPRD1OPRK1
Trifluoroacetic Acid SCHEMBL3881104 0.78 KMT2A (0.39)
SCHEMBL4514217 0.76 KMT2A (0.41) ALDH1A1MAPTCHRNA7
SCHEMBL2204952 0.76 OPRM1 (0.42) HTR1ASLC6A4OPRM1OPRD1OPRK1

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.