SCHEMBL3115682

SCHEMBL3115682

OC1(c2cccc(F)c2F)CCNC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.42
SIGMAR1 Q99720 1/20 0.41
HTR2A P28223 4/20 0.37
DRD2 P14416 2/20 0.37
HTR2C P28335 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
PDK2 Q15119 2/20 0.35
BACE1 P56817 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SLC6A3 Q01959 1/20 0.33
PDE7A Q13946 1/20 0.32
CES2 O00748 1/20 0.32

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
SCHEMBL15076841 0.90 SIGMAR1 (0.50) HDAC4SIGMAR1DRD2HTR2CSLC6A2
SCHEMBL30824567 0.86 HDAC4 (0.42) HDAC4SIGMAR1SLC6A2SLC6A4PDK2
SCHEMBL1329573 0.86 HDAC4 (0.42) HDAC4SIGMAR1SLC6A2SLC6A4PDK2
SCHEMBL3110882 0.84 DRD2 (0.40) HDAC4SIGMAR1HTR2ADRD2HTR2C
SCHEMBL23231960 0.80 HDAC4 (0.50) HDAC4PDK2OPRM1OPRD1OPRK1
SCHEMBL3111594 0.78 HDAC4 (0.40) HDAC4HTR2ADRD2HTR2CSLC6A2
SCHEMBL22778198 0.77 HDAC4 (0.51) HDAC4PDK2OPRM1OPRD1OPRK1
SCHEMBL615903 0.75 SIGMAR1 (0.57) HDAC4SIGMAR1HTR2ADRD2HTR2C
SCHEMBL1513456 0.74 DRD2 (0.46) HDAC4SIGMAR1DRD2HTR2CSLC6A2
SCHEMBL828817 0.74 HDAC4 (0.45) HDAC4PDK2OPRM1OPRD1OPRK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155671-B1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RES LABORATORIES SWEDEN AB (SE) 2017-12-20 EP disclosed
US-8188301-B2 Disubstituted phenylpyrrolidines as modulators of cortical catecholaminergic neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2012-05-29 US disclosed
US-20100179211-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB (DK) 2010-07-15 US disclosed
EP-2155671-A2 NEW DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2010-02-24 EP disclosed
WO-2008148801-A2 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL OF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2008-12-11 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-20100179211-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION PNMT, DBH, SLC6A2 HDAC4 3574/4885SIGMAR1 409/4885HTR2A 86/4885

“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.