SCHEMBL425287

SCHEMBL425287

CN(C(=O)n1cnc(-c2cccc(C(=O)NO)c2)c1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.52
HDAC4 P56524 7/20 0.52
HDAC6 Q9UBN7 7/20 0.52
HDAC3 O15379 6/20 0.52
HDAC7 Q8WUI4 6/20 0.52
HDAC2 Q92769 6/20 0.52
HDAC10 Q969S8 6/20 0.52
HDAC11 Q96DB2 6/20 0.52
HDAC8 Q9BY41 6/20 0.52
HDAC9 Q9UKV0 6/20 0.52
HDAC5 Q9UQL6 6/20 0.52
DRD2 P14416 4/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 1/20 0.47
SIGMAR1 Q99720 3/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
FAAH O00519 2/20 0.46
CES2 O00748 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
SCHEMBL428263 0.93 HDAC1 (0.51) HDAC1HDAC4HDAC6HDAC3HDAC7
SCHEMBL424816 0.90 DRD2 (0.57) DRD2DRD4DRD3SIGMAR1HTR2A
SCHEMBL425436 0.89 KDM1A (0.44) DRD2DRD4DRD3SIGMAR1HTR2A
SCHEMBL427189 0.88 DRD2 (0.49) DRD2DRD4DRD3SIGMAR1HTR2A
SCHEMBL426575 0.88 OPRD1 (0.50) DRD2DRD4DRD3SIGMAR1HTR2A
SCHEMBL426174 0.88 FAAH (0.47) HDAC1HDAC4HDAC6HDAC3HDAC7
SCHEMBL14950287 0.87 DRD2 (0.50) DRD2DRD4DRD3SIGMAR1HTR2A
SCHEMBL16439270 0.87 DRD2 (0.50) DRD2DRD4DRD3SIGMAR1HTR2A
Bromide SCHEMBL17819160 0.86 DRD2 (0.49) DRD2DRD4DRD3SIGMAR1HTR2A
SCHEMBL425027 0.86 DRD2 (0.49) DRD2DRD4DRD3SIGMAR1HTR2A

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 8 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-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
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
EP-2382012-A2 PHARMACEUTICAL COMPOUNDS Bial-Portela & CA, S.A. (PT) 2011-11-02 EP disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 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 (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 626/4885HDAC6 278/4885

“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.