SCHEMBL13705306

SCHEMBL13705306

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CCOC(=O)N2CCCCC2)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.35
BACE1 P56817 2/20 0.35
CTSD P07339 1/20 0.35
USP30 Q70CQ3 3/20 0.34
PARP1 P09874 1/20 0.34
ACKR3 P25106 1/20 0.34
HSD11B1 P28845 1/20 0.34
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
APLNR P35414 1/20 0.33
PRMT5 O14744 2/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
NPC1L1 Q9UHC9 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
SCHEMBL13705254 0.99 HPGDS (0.36) HPGDSBACE1CTSDUSP30PARP1
SCHEMBL4286693 0.93 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL4282962 0.92 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL13705256 0.91 EGFR (0.35) HPGDSBACE1CTSDUSP30PARP1
SCHEMBL13705307 0.91 USP30 (0.34) HPGDSUSP30PARP1ACKR3APLNR
SCHEMBL13705261 0.91 HPGDS (0.34) HPGDSBACE1CTSDUSP30PARP1
SCHEMBL13705262 0.90 HPGDS (0.33) HPGDSBACE1CTSDUSP30ACKR3
SCHEMBL13705145 0.89 ABHD6 (0.42) HPGDSUSP30PARP1PRMT5
SCHEMBL13705257 0.88 USP30 (0.34) HPGDSUSP30PARP1ACKR3CKS1B
SCHEMBL13705312 0.88 PRMT5 (0.36) HPGDSBACE1CTSDUSP30PARP1

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HPGDS 1198/4885BACE1 1003/4885CTSD 1918/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HPGDS 1198/4885BACE1 1003/4885CTSD 1918/4885

“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.