SCHEMBL4516353

SCHEMBL4516353

CC1(O)CCC(N2CCC(Cc3ccc(-c4ccc(CO)o4)cc3Cl)C2=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 3/20 0.33
ACVR1 Q04771 3/20 0.33
BMPR1A P36894 2/20 0.33
BMPR1B O00238 1/20 0.33
TGFBR1 P36897 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HSD11B1 P28845 1/20 0.33
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
USP7 Q93009 2/20 0.31
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL13674544 1.00 ACVRL1 (0.33) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL13675513 0.91 HSD11B1 (0.34) ALDH1A1HSD11B1KDM4ESMN1; SMN2TRPV1
SCHEMBL4504541 0.88 ALDH1A1 (0.36) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL13674535 0.85 HSD11B1 (0.37) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL5543796 0.85 HSD11B1 (0.37) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL13674541 0.84 ACVRL1 (0.38) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL4528144 0.84 ACVRL1 (0.38) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL4517259 0.83 HSD11B1 (0.40) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL13674534 0.83 HSD11B1 (0.40) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL13674486 0.82 P2RX7 (0.42) HSD11B1

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 ACVRL1 3676/4885ACVR1 3346/4885BMPR1A 2912/4885

“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.