SCHEMBL1823938

SCHEMBL1823938

CN1CCC(c2cc(F)cc(F)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNH2 Q12809 1/20 0.41
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR1E P28566 1/20 0.40
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40
HTR3A P46098 1/20 0.40
HTR5A P47898 1/20 0.40
QDPR P09417 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL28296842 0.92 NPC1 (0.37) SLC6A2SLC6A4SLC6A3KCNH2HTR1A
SCHEMBL10078850 0.88 QDPR (0.50) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL1822634 0.88 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2HTR1A
SCHEMBL10078852 0.82 DRD2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2HTR1A
SCHEMBL13416053 0.81 NPC1 (0.47) SLC6A2SLC6A4SLC6A3KCNH2HTR1A
SCHEMBL2606075 0.81 NPC1 (0.47) SLC6A2SLC6A4SLC6A3KCNH2HTR1A
SCHEMBL3633708 0.78 NPC1 (0.39) SLC6A2SLC6A4SLC6A3NPC1RAB9A
SCHEMBL24123996 0.78 QDPR (0.45) SLC6A2SLC6A4SLC6A3KCNH2QDPR
SCHEMBL1823197 0.77 SLC6A3 (0.49) SLC6A2SLC6A4SLC6A3KCNH2HTR1A
SCHEMBL3014454 0.77 RAB9A (0.41) DRD2DRD3NPC1RAB9ASMN1; SMN2

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 SLC6A2 1/4885SLC6A4 12/4885SLC6A3 2/4885

“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.