SCHEMBL3108440

SCHEMBL3108440

CN1CCC(O)(c2ccc(F)c(F)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.47
SLC6A2 P23975 5/20 0.47
SLC6A4 P31645 5/20 0.47
DRD2 P14416 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD4 P21917 2/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRND Q07001 1/20 0.38
OPRM1 P35372 1/20 0.38
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36

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
SCHEMBL16838117 0.90 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4DRD2MEN1
SCHEMBL3122600 0.86 CCR1 (0.46) SLC6A3SLC6A2SLC6A4DRD2DRD4
SCHEMBL3116931 0.86 CCR1 (0.46) SLC6A3SLC6A2SLC6A4DRD2DRD4
SCHEMBL3111203 0.81 DRD2 (0.47) SLC6A3SLC6A2SLC6A4DRD2KMT2A
SCHEMBL3115638 0.80 RORC (0.41) SLC6A3SLC6A2SLC6A4OPRM1
SCHEMBL3115576 0.80 KDM4E (0.44) SLC6A3SLC6A2SLC6A4DRD2KMT2A
SCHEMBL3113113 0.79 SLC6A4 (0.48) SLC6A3SLC6A2SLC6A4DRD2MEN1
SCHEMBL3114214 0.79 DRD2 (0.48) SLC6A3SLC6A2SLC6A4DRD2KMT2A
SCHEMBL3110864 0.78 OPRM1 (0.37) SLC6A3SLC6A2SLC6A4DRD2KMT2A
SCHEMBL9910960 0.78 CCR3 (0.50) DRD2KMT2ADRD4OPRM1HTR1A

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 6 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 claimed
US-8188301-B2 Disubstituted phenylpyrrolidines as modulators of cortical catecholaminergic neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2012-05-29 US claimed
US-20100179211-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB (DK) 2010-07-15 US claimed
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

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 SLC6A3 6/4885SLC6A2 3/4885SLC6A4 17/4885

“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.