SCHEMBL8086598

SCHEMBL8086598

OC1(c2ccccc2Cl)CCNC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
DRD2 P14416 4/20 0.44
HTR2A P28223 4/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
BACE1 P56817 1/20 0.39
HDAC4 P56524 1/20 0.39
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
PDK2 Q15119 1/20 0.36
PTGS2 P35354 1/20 0.35
HTT P42858 1/20 0.35
ADRB1 P08588 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
Hydrochloric Acid SCHEMBL3551702 0.98 SIGMAR1 (0.45) SIGMAR1DRD2HTR2ASLC6A2HTR2C
SCHEMBL652087 0.89 SIGMAR1 (0.57) SIGMAR1DRD2HTR2ASLC6A2HTR2C
SCHEMBL3107373 0.86 DRD2 (0.42) SIGMAR1DRD2HTR2ASLC6A2HTR2C
SCHEMBL3110882 0.83 DRD2 (0.40) SIGMAR1DRD2HTR2ASLC6A2HTR2C
SCHEMBL3266597 0.76 SIGMAR1 (0.51) SIGMAR1DRD2HTR2AHTR2CDRD4
SCHEMBL1513548 0.75 SIGMAR1 (0.50) SIGMAR1DRD2HTR2ASLC6A2HTR2C
SCHEMBL27035066 0.75 HDAC4 (0.49) SIGMAR1DRD2SLC6A4DRD4DRD3
SCHEMBL15819780 0.75 SIGMAR1 (0.46) SIGMAR1DRD2HTR2ASLC6A2HTR2C
Hydrochloric Acid SCHEMBL31069247 0.74 HTR2A (0.41) DRD2HTR2ASLC6A2HTR2CSLC6A4
Hydrochloric Acid SCHEMBL21810777 0.74 HTR2A (0.41) DRD2HTR2ASLC6A2HTR2CSLC6A4

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 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-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
US-20100179211-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB (DK) 2010-07-15 US 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 SIGMAR1 409/4885DRD2 9/4885HTR2A 86/4885

“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.