SCHEMBL3104458

SCHEMBL3104458

CCc1sc(C(CC)CC)cc1C(Oc1ccc(C(=O)O)cc1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 2/20 0.36
EPHX2 P34913 2/20 0.34
MEN1 O00255 2/20 0.34
MITF O75030 1/20 0.34
CCR5 P51681 3/20 0.33
PTGES O14684 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
EPHX1 P07099 1/20 0.32
PLA2G4B P0C869 1/20 0.32
ALOX5 P09917 1/20 0.32
HCRTR1 O43613 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
SCHEMBL3110265 0.86 GCGR (0.47) SMN1; SMN2NPC1HPGDRAB9ANPSR1
SCHEMBL3112695 0.86 SMN1; SMN2 (0.34) KMT2ASMN1; SMN2NPC1HPGDRAB9A
SCHEMBL3102067 0.86 KMT2A (0.39) KMT2ASMN1; SMN2NPC1HPGDRAB9A
SCHEMBL3101381 0.86 KMT2A (0.39) KMT2ASMN1; SMN2NPC1HPGDRAB9A
SCHEMBL3108936 0.83 KMT2A (0.40) KMT2ASMN1; SMN2NPC1HPGDRAB9A
SCHEMBL3090387 0.80 RCE1 (0.46) KMT2ASMN1; SMN2NPC1HPGDRAB9A
SCHEMBL3244452 0.80 HPGD (0.43) KMT2ASMN1; SMN2NPC1HPGDRAB9A
SCHEMBL3107709 0.79 GCGR (0.40) KMT2ASMN1; SMN2NPC1HPGDRAB9A
SCHEMBL3089767 0.78 SMN1; SMN2 (0.35) KMT2ASMN1; SMN2NPC1HPGDRAB9A
SCHEMBL3112583 0.76 SMN1; SMN2 (0.40) KMT2ASMN1; SMN2NPC1HPGDRAB9A

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
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR KMT2A 2159/4885SMN1; SMN2 4692/4885NPC1 3994/4885

“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.