SCHEMBL3108178

SCHEMBL3108178

OC1(c2ccc(F)cc2F)CCNC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.40
CDK9 P50750 2/20 0.40
SIGMAR1 Q99720 1/20 0.37
DPP4 P27487 1/20 0.37
BACE1 P56817 1/20 0.35
DRD2 P14416 1/20 0.35
PDK2 Q15119 2/20 0.35
HTR2C P28335 2/20 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
NAMPT P43490 1/20 0.33
CNR1 P21554 1/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
TRPA1 O75762 1/20 0.32
PDE4B Q07343 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 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
SCHEMBL1513363 0.90 SIGMAR1 (0.46) CCNT1CDK9SIGMAR1DPP4BACE1
SCHEMBL9697435 0.80 BACE1 (0.41) BACE1PDK2HDAC3HDAC1HDAC2
SCHEMBL3119870 0.78 BACE1 (0.36) DPP4BACE1DRD2HTR2CHDAC3
SCHEMBL17186960 0.77 HDAC4 (0.41) BACE1PDK2HDAC3HDAC1HDAC2
SCHEMBL17187006 0.77 TRPA1 (0.41) BACE1PDK2HDAC3HDAC1HDAC2
SCHEMBL3549471 0.75 DRD2 (0.52) CCNT1CDK9SIGMAR1DRD2SLC6A2
SCHEMBL17186778 0.75 CNR1 (0.40) BACE1HDAC3HDAC1HDAC2HDAC6
SCHEMBL749052 0.75 SIGMAR1 (0.41) SIGMAR1DPP4DRD2
SCHEMBL20242092 0.74 DRD2 (0.37) CCNT1CDK9SIGMAR1BACE1DRD2
SCHEMBL7954729 0.74 SLC6A2 (0.42) DPP4BACE1HTR2CHDAC3HDAC1

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 CCNT1 3971/4885CDK9 2659/4885SIGMAR1 409/4885

“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.