SCHEMBL3113271

SCHEMBL3113271

C=CCN1CCC(O)(c2cc(F)cc(F)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
DRD2 P14416 7/20 0.37
HTR1A P08908 2/20 0.36
HTR2A P28223 2/20 0.36
HRH1 P35367 2/20 0.36
DRD3 P35462 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
OPRL1 P41146 2/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL3124341 0.91 DRD2 (0.43) TSHRDRD2HTR1AHTR2AHRH1
SCHEMBL3120735 0.82 CCR1 (0.43) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL3121910 0.82 TSHR (0.42) TSHRDRD2HTR1AHTR2AHRH1
SCHEMBL3108383 0.80 DRD2 (0.39) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL3118518 0.79 OPRL1 (0.44) TSHRDRD2HTR1AHTR2AHRH1
SCHEMBL3111818 0.79 KDM4E (0.42) TSHRDRD2HTR1AHTR2AHRH1
SCHEMBL3118604 0.78 TSHR (0.41) TSHRDRD2HTR1AHTR2AHRH1
SCHEMBL9182593 0.78 OPRL1 (0.40) TSHRDRD2HTR1AHTR2AHRH1
SCHEMBL3109356 0.78 DRD2 (0.44) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL3117382 0.77 CYP2D6 (0.41) TSHRDRD2HTR1AHTR2AHRH1

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 10 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-A2 NEW DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2010-02-24 EP claimed
WO-2008148801-A2 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL OF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2008-12-11 WO 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
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 TSHR 2108/4885DRD2 9/4885HTR1A 94/4885

“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.