SCHEMBL4514405

SCHEMBL4514405

CC1(O)CCC(N2CCC(Cc3ccc(OCc4ccc(C(=O)O)cc4)cc3Cl)C2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.39
PRKX P51817 1/20 0.39
ACVR1 Q04771 1/20 0.39
S1PR5 Q9H228 1/20 0.39
NR4A2 P43354 3/20 0.39
RXRA P19793 4/20 0.39
RXRB P28702 4/20 0.39
RXRG P48443 2/20 0.39
SLC6A5 Q9Y345 1/20 0.39
FFAR1 O14842 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRM2 Q14416 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
LTA4H P09960 1/20 0.36
GPBAR1 Q8TDU6 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
SCHEMBL4519921 0.92 RAB9A (0.39) S1PR1PRKXACVR1S1PR5SLC6A5
SCHEMBL4508467 0.91 S1PR1 (0.37) S1PR1PRKXACVR1S1PR5SLC6A5
SCHEMBL4500417 0.89 HSD11B1 (0.47) S1PR1PRKXACVR1S1PR5NR4A2
SCHEMBL4509399 0.87 MCL1 (0.39) ACVR1FFAR1
SCHEMBL4513996 0.85 MAOB (0.42) S1PR1PRKXACVR1S1PR5MAOA
SCHEMBL4525516 0.85 MRGPRX4 (0.44) S1PR1PRKXACVR1S1PR5NPC1
SCHEMBL14365300 0.84 MAOB (0.39) S1PR1PRKXACVR1S1PR5SLC6A5
SCHEMBL5547531 0.84 HSD11B1 (0.40) S1PR1PRKXACVR1S1PR5FFAR1
SCHEMBL4510197 0.84 OPRM1 (0.39)
SCHEMBL13674485 0.84 OPRM1 (0.39)

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 4 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

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 S1PR1 521/4885PRKX 3496/4885ACVR1 3346/4885

“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.