SCHEMBL1822196

SCHEMBL1822196

CN1CCC(c2cccc(Cl)c2Cl)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR1E P28566 1/20 0.42
HTR7 P34969 1/20 0.42
HTR2B P41595 1/20 0.42
HTR3A P46098 1/20 0.42
HTR5A P47898 1/20 0.42
HTR6 P50406 2/20 0.42
GRM2 Q14416 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 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
SCHEMBL3773284 0.90 DRD2 (0.50) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL8088234 0.86 KDM4E (0.53) KDM4EATMHTR1AHTR1DHTR1B
SCHEMBL1821082 0.84 KDM4E (0.44) KDM4EATMHTR1AHTR1DHTR1B
SCHEMBL1826496 0.84 KDM4E (0.44) KDM4EATMHTR6
SCHEMBL1821970 0.80 IDO1 (0.43) DRD2HTR1AHTR2AHTR2CHTR2B
SCHEMBL24519848 0.77 KDM4E (0.54) KDM4EATMSLC6A2SLC6A4SLC6A3
SCHEMBL3397657 0.77 IDO1 (0.45) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL1824248 0.77 MEN1 (0.46) KDM4EATMHTR6SLC6A2SLC6A4
SCHEMBL13416031 0.77 KCNH2 (0.51) DRD2HTR2AHTR2CSLC6A2SLC6A4
SCHEMBL3774918 0.76 DRD2 (0.61) DRD2DRD3HTR1AHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155669-B1 NEW DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2011-05-04 EP disclosed
US-20100197760-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-08-05 US disclosed
EP-2155669-A1 NEW DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2010-02-24 EP disclosed
WO-2008148799-A1 NEW 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-20100197760-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION SLC6A2, SLC6A3, SLC18A2 KDM4E 1963/4885ATM 3353/4885DRD2 6/4885

“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.