SCHEMBL446158

SCHEMBL446158

CN(C(=O)n1ccc(-c2cccc(C(=O)NOCc3ccccc3)c2)c1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.47
DRD4 P21917 3/20 0.47
KDM1A O60341 1/20 0.46
OPRD1 P41143 6/20 0.45
OPRM1 P35372 4/20 0.45
CHRM4 P08173 2/20 0.43
OPRK1 P41145 3/20 0.43
SIGMAR1 Q99720 2/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
CACNA2D1 P54289 1/20 0.42
KMT2A Q03164 2/20 0.42
TMEM97 Q5BJF2 1/20 0.42
MEN1 O00255 1/20 0.41
CCR3 P51677 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
SCHEMBL425436 0.90 KDM1A (0.44) DRD2DRD4KDM1AOPRD1OPRM1
SCHEMBL14938277 0.83 KDM1A (0.49) DRD2DRD4KDM1ACHRM4SIGMAR1
SCHEMBL14937747 0.82 SLC5A7 (0.42) DRD2DRD4KDM1A
SCHEMBL530727 0.80 FAAH (0.54) KMT2A
SCHEMBL425287 0.79 HDAC1 (0.52) DRD2DRD4OPRD1OPRM1CHRM4
SCHEMBL14937811 0.78 FAAH (0.44)
SCHEMBL14937999 0.78 FAAH (0.43)
SCHEMBL14938000 0.78 FAAH (0.43)
SCHEMBL7901870 0.78 KDM1A (0.47) DRD2DRD4KDM1AOPRD1OPRM1
SCHEMBL426575 0.77 OPRD1 (0.50) DRD2DRD4OPRD1OPRM1CHRM4

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 2 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-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 2351/4885KDM1A 1476/4885

“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.