SCHEMBL428263

SCHEMBL428263

CN(C(=O)n1cnc(-c2ccc(C(=O)NO)cc2)c1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.51
HDAC4 P56524 7/20 0.51
KCNH2 Q12809 2/20 0.51
HDAC6 Q9UBN7 7/20 0.51
HDAC3 O15379 6/20 0.51
HDAC2 Q92769 6/20 0.51
HDAC7 Q8WUI4 5/20 0.51
HDAC10 Q969S8 5/20 0.51
HDAC11 Q96DB2 5/20 0.51
HDAC8 Q9BY41 5/20 0.51
HDAC9 Q9UKV0 5/20 0.51
HDAC5 Q9UQL6 5/20 0.51
CHRM4 P08173 2/20 0.49
DRD2 P14416 4/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
DRD4 P21917 2/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL425287 0.93 HDAC1 (0.52) HDAC1HDAC4KCNH2HDAC6HDAC3
SCHEMBL424816 0.90 DRD2 (0.57) KCNH2CHRM4DRD2HTR2AHTR2C
SCHEMBL14938277 0.89 KDM1A (0.49) HDAC1KCNH2CHRM4DRD2HTR2A
SCHEMBL426011 0.88 DRD2 (0.50) KCNH2CHRM4DRD2HTR2AHTR2C
SCHEMBL428152 0.88 DRD2 (0.50) KCNH2CHRM4DRD2HTR2AHTR2C
SCHEMBL14950181 0.88 DRD2 (0.50) KCNH2CHRM4DRD2HTR2AHTR2C
SCHEMBL427768 0.87 OPRM1 (0.53) KCNH2CHRM4DRD2HTR2AHTR2C
SCHEMBL427522 0.87 DRD2 (0.49) KCNH2CHRM4DRD2HTR2AHTR2C
SCHEMBL426100 0.85 DRD2 (0.47) HDAC1KCNH2CHRM4DRD2HTR2A
SCHEMBL427261 0.85 CHRM2 (0.53) CHRM4DRD2HTR2AHTR2CHTR2B

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
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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 (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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 HDAC1 538/4885HDAC4 626/4885KCNH2 1739/4885

“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.