SCHEMBL13675457

SCHEMBL13675457

COc1ccc(CC2CCNC2=O)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR1A P08908 1/20 0.41
SLC6A4 P31645 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CA2 P00918 2/20 0.39
CYP24A1 Q07973 3/20 0.39
CYP27A1 Q02318 2/20 0.39
P2RX7 Q99572 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP26A1 O43174 1/20 0.38

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
SCHEMBL14365306 0.82 OPRM1 (0.38) OPRM1OPRD1OPRK1ALDH1A1P2RX7
SCHEMBL2990058 0.82 IDO1 (0.41) SLC6A4P2RX7
SCHEMBL28206454 0.77 HTT (0.48) TSHRCYP24A1CYP26A1KMT2AMEN1
SCHEMBL27343744 0.76 EED (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1738754 0.75 CCR4 (0.39) ALDH1A1TSHRCYP24A1CYP27A1CYP26A1
SCHEMBL4517793 0.72 HSD11B1 (0.52) OPRM1OPRD1OPRK1HTR1ASLC6A4
SCHEMBL4509869 0.72 HTR1A (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14365029 0.71 KMT2A (0.38) ALDH1A1RAB9AKMT2AMEN1
SCHEMBL13675555 0.71 PDCD1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16533002 0.71 CA2 (0.46) ALDH1A1TSHRCA2RAB9A

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 1 patent. 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

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 PSEN1 1721/4885PSEN2 3561/4885APH1B 1342/4885

“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.