SCHEMBL426100

SCHEMBL426100

CN(C(=O)n1cnc(-c2ccc(O)c(O)c2)c1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
SIGMAR1 Q99720 4/20 0.47
HTR2A P28223 3/20 0.47
HTR2C P28335 3/20 0.47
HTR2B P41595 3/20 0.47
FAAH O00519 2/20 0.46
CES2 O00748 1/20 0.46
CHRM4 P08173 3/20 0.46
KCNH2 Q12809 1/20 0.45
HDAC1 Q13547 1/20 0.43
OPRM1 P35372 4/20 0.42
CCR3 P51677 1/20 0.41
GMNN O75496 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
Bromide SCHEMBL16429699 0.99 DRD2 (0.47) DRD2DRD4DRD3SIGMAR1HTR2A
SCHEMBL426140 0.92 DRD2 (0.45) DRD2DRD4DRD3SIGMAR1HTR2A
SCHEMBL16431000 0.92 FAAH (0.44) DRD2DRD4DRD3SIGMAR1HTR2A
SCHEMBL427842 0.92 DRD2 (0.45) DRD2DRD4DRD3SIGMAR1HTR2A
SCHEMBL428152 0.91 DRD2 (0.50) DRD2DRD4DRD3SIGMAR1HTR2A
SCHEMBL424816 0.91 DRD2 (0.57) DRD2DRD4DRD3SIGMAR1HTR2A
SCHEMBL426187 0.90 DRD2 (0.44) DRD2DRD4DRD3SIGMAR1HTR2A
SCHEMBL14950181 0.89 DRD2 (0.50) DRD2DRD4DRD3SIGMAR1HTR2A
SCHEMBL426011 0.89 DRD2 (0.50) DRD2DRD4DRD3SIGMAR1HTR2A
SCHEMBL16439270 0.89 DRD2 (0.50) 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 6 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
WO-2015016729-A8 UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2015-09-11 WO disclosed
WO-2015016729-A1 UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2015-02-05 WO 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 DRD2 1602/4885DRD4 2351/4885DRD3 1627/4885

“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.