SCHEMBL3124015

SCHEMBL3124015

COCCN1CCC(O)(c2ccc(F)cc2F)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
ACKR3 P25106 1/20 0.39
PDE4B Q07343 1/20 0.38
DRD2 P14416 11/20 0.38
MC4R P32245 1/20 0.38
HTR2A P28223 5/20 0.37
DRD3 P35462 4/20 0.37
HTR1A P08908 3/20 0.37
HRH1 P35367 3/20 0.37
DRD1 P21728 2/20 0.37
DRD5 P21918 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
HTR7 P34969 2/20 0.37
HTR2B P41595 2/20 0.37
HTR2C P28335 3/20 0.37
DRD4 P21917 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37

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
SCHEMBL3116252 0.88 DRD2 (0.41) HDAC1HDAC2DRD2HTR2ADRD3
SCHEMBL3122751 0.88 DRD2 (0.46) HDAC1HDAC2DRD2HTR2ADRD3
SCHEMBL3113630 0.86 DRD2 (0.42) DRD2HTR2ADRD3HTR1AHRH1
SCHEMBL3121837 0.84 DRD2 (0.43) DRD2HTR2ADRD3HTR1AHRH1
SCHEMBL3124221 0.83 MC4R (0.40) DRD2MC4RHTR2ADRD3HTR1A
SCHEMBL3109607 0.80 DRD2 (0.38) HDAC1HDAC2PDE4BDRD2KCNH2
SCHEMBL3113311 0.80 CYP2D6 (0.46) DRD2MC4RDRD3DRD4
SCHEMBL3116320 0.79 DRD2 (0.40) HDAC1HDAC2DRD2HTR2ADRD3
SCHEMBL3126739 0.79 DRD2 (0.42) HDAC1HDAC2DRD2HTR2ADRD3
SCHEMBL3117016 0.78 MAPK1 (0.39) DRD2BACE1SLC6A3

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 3 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

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 HDAC1 4020/4885HDAC2 3591/4885ACKR3 2819/4885

“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.