SCHEMBL4288518

SCHEMBL4288518

O=C1CN(Cc2ccccc2)C(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.60
HDAC6 Q9UBN7 5/20 0.57
HDAC1 Q13547 4/20 0.56
HDAC8 Q9BY41 4/20 0.56
OPRK1 P41145 4/20 0.54
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
KCNH2 Q12809 1/20 0.45
CHRM3 P20309 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.44
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL3554155 0.88 HDAC6 (0.67) TACR1HDAC6HDAC1HDAC8OPRK1
SCHEMBL3554150 0.88 HDAC6 (0.67) TACR1HDAC6HDAC1HDAC8OPRK1
SCHEMBL4287720 0.85 HDAC6 (0.60) TACR1HDAC6HDAC1HDAC8OPRK1
SCHEMBL876552 0.84 HDAC6 (0.73) TACR1HDAC6HDAC1HDAC8OPRK1
SCHEMBL877776 0.84 HDAC6 (0.73) TACR1HDAC6HDAC1HDAC8OPRK1
SCHEMBL8452072 0.84 HDAC6 (0.73) TACR1HDAC6HDAC1HDAC8OPRK1
SCHEMBL25403938 0.82 HDAC6 (0.63) TACR1HDAC6HDAC1HDAC8OPRK1
SCHEMBL2084503 0.82 OPRK1 (0.63) TACR1HDAC6HDAC1HDAC8OPRK1
SCHEMBL4288593 0.81 HDAC6 (0.61) TACR1HDAC6HDAC1HDAC8OPRK1
SCHEMBL4293912 0.81 HDAC6 (0.60) TACR1HDAC6HDAC1HDAC8OPRK1

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 7 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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
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
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO 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 TACR1 97/4885HDAC6 903/4885HDAC1 67/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT TACR1 97/4885HDAC6 903/4885HDAC1 67/4885

“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.