SCHEMBL3124228

SCHEMBL3124228

CCCCN1CCC(O)(c2cccc(Cl)c2Cl)C1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.54
DRD3 P35462 5/20 0.50
DRD4 P21917 2/20 0.47
CCR1 P32246 2/20 0.44
SIGMAR1 Q99720 6/20 0.43
EBP Q15125 1/20 0.41
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL3856163 0.92 DRD2 (0.61) DRD2DRD3DRD4CCR1SIGMAR1
SCHEMBL3120693 0.92 DRD2 (0.50) DRD2DRD3DRD4CCR1
SCHEMBL3122583 0.89 DRD2 (0.47) DRD2DRD3DRD4CCR1SIGMAR1
SCHEMBL3119953 0.88 DRD2 (0.47) DRD2DRD3DRD4CCR1SIGMAR1
SCHEMBL3111174 0.87 DRD2 (0.51) DRD2DRD3DRD4CCR1
SCHEMBL3856142 0.84 DRD2 (0.58) DRD2DRD3DRD4CCR1
SCHEMBL3120562 0.84 DRD2 (0.47) DRD2DRD3DRD4CCR1HTR1A
SCHEMBL3110992 0.82 DRD2 (0.43) DRD2DRD3DRD4CCR1HTR1A
SCHEMBL3852297 0.81 DRD2 (0.56) DRD2DRD3DRD4CCR1
SCHEMBL3126014 0.81 DRD2 (0.48) DRD2DRD3DRD4CCR1

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 DRD2 9/4885DRD3 24/4885DRD4 28/4885

“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.