SCHEMBL4289779

SCHEMBL4289779

O=C1CN(Cc2ccccc2)C(=O)[C@@H](Cc2ccccc2F)N1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.64
HDAC6 Q9UBN7 5/20 0.57
HDAC1 Q13547 4/20 0.57
HDAC8 Q9BY41 4/20 0.57
TACR1 P25103 1/20 0.51
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL4292380 0.88 OPRK1 (0.59) OPRK1HDAC6HDAC1HDAC8TACR1
SCHEMBL877776 0.85 HDAC6 (0.73) OPRK1HDAC6HDAC1HDAC8TACR1
SCHEMBL8452072 0.85 HDAC6 (0.73) OPRK1HDAC6HDAC1HDAC8TACR1
SCHEMBL876552 0.85 HDAC6 (0.73) OPRK1HDAC6HDAC1HDAC8TACR1
SCHEMBL873897 0.85 OPRK1 (0.71) OPRK1HDAC6HDAC1HDAC8TACR1
SCHEMBL4283359 0.85 OPRK1 (0.64) OPRK1HDAC6HDAC1HDAC8TACR1
SCHEMBL873898 0.85 OPRK1 (0.71) OPRK1HDAC6HDAC1HDAC8TACR1
SCHEMBL4285757 0.84 OPRK1 (0.61) OPRK1HDAC6HDAC1HDAC8TACR1
SCHEMBL4293506 0.84 OPRK1 (0.63) OPRK1HDAC6HDAC1HDAC8TACR1
SCHEMBL873682 0.84 HDAC6 (0.68) OPRK1HDAC6HDAC1HDAC8TACR1

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 OPRK1 2640/4885HDAC6 903/4885HDAC1 67/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT OPRK1 2640/4885HDAC6 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.