SCHEMBL4510092

SCHEMBL4510092

CC1(O)CCC(N2CCC(Cc3ccc(Br)cc3Cl)C2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.38
P2RX7 Q99572 5/20 0.33
OPRM1 P35372 4/20 0.33
CCR1 P32246 1/20 0.33
ACVRL1 P37023 2/20 0.33
ACVR1 Q04771 2/20 0.33
USP7 Q93009 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
TGFBR1 P36897 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL13674528 1.00 HSD11B1 (0.38) HSD11B1P2RX7OPRM1CCR1ACVRL1
SCHEMBL3001594 0.89 P2RX7 (0.42) HSD11B1P2RX7
SCHEMBL3001590 0.89 P2RX7 (0.42) HSD11B1P2RX7
SCHEMBL3001587 0.89 P2RX7 (0.42) HSD11B1P2RX7
SCHEMBL13674486 0.89 P2RX7 (0.42) HSD11B1P2RX7
SCHEMBL4512668 0.88 P2RX7 (0.41) HSD11B1P2RX7
SCHEMBL13674489 0.88 P2RX7 (0.41) HSD11B1P2RX7
SCHEMBL4502408 0.88 HSD11B1 (0.39) HSD11B1P2RX7OPRM1ACVRL1ACVR1
SCHEMBL474708 0.88 HSD11B1 (0.40) HSD11B1P2RX7OPRM1USP7
SCHEMBL4514504 0.87 HSD11B1 (0.38) HSD11B1P2RX7OPRM1ACVRL1ACVR1

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 2 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
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 1/4885P2RX7 3946/4885OPRM1 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.