SCHEMBL4514955

SCHEMBL4514955

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
HRH3 Q9Y5N1 1/20 0.36
ACVRL1 P37023 3/20 0.34
ACVR1 Q04771 3/20 0.34
BMPR1A P36894 2/20 0.34
BMPR1B O00238 1/20 0.34
TGFBR1 P36897 1/20 0.34
HSD11B1 P28845 1/20 0.34
KDM4E B2RXH2 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
HTR1A P08908 1/20 0.32
SLC6A4 P31645 1/20 0.32
HPGD P15428 1/20 0.32
FFAR1 O14842 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 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
SCHEMBL13674552 0.92 ACVRL1 (0.36) S1PR1S1PR3ACVRL1ACVR1BMPR1A
Hydrochloric Acid SCHEMBL4522836 0.91 ACVRL1 (0.36) S1PR1S1PR3ACVRL1ACVR1BMPR1A
SCHEMBL4510197 0.89 OPRM1 (0.39) HSD11B1FFAR4HTR1ASLC6A4ALDH1A1
SCHEMBL13674485 0.89 OPRM1 (0.39) HSD11B1FFAR4HTR1ASLC6A4ALDH1A1
SCHEMBL4523794 0.89 HPGD (0.39) S1PR1S1PR3ACVRL1ACVR1BMPR1A
SCHEMBL4505225 0.89 HSP90AA1 (0.39) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL4509399 0.89 MCL1 (0.39) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL4501678 0.88 FFAR4 (0.36) S1PR1S1PR3ACVRL1ACVR1BMPR1A
SCHEMBL4508467 0.87 S1PR1 (0.37) S1PR1HRH3ACVRL1ACVR1BMPR1A
SCHEMBL4525800 0.87 HSD11B1 (0.47) S1PR1S1PR3HRH3HSD11B1KDM4E

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 521/4885S1PR3 1175/4885HRH3 3961/4885

“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.