SCHEMBL2461709

SCHEMBL2461709

CC(C)CN1CC(O)(c2cc(F)cc(Cl)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
DRD2 P14416 4/20 0.36
CYP2D6 P10635 3/20 0.33
CACNA1H O95180 1/20 0.33
SSTR5 P35346 1/20 0.33
GRIN2B Q13224 1/20 0.33
CYP3A4 P08684 2/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
METAP2 P50579 4/20 0.32
HTR1A P08908 2/20 0.31
HTR2A P28223 2/20 0.31
HRH1 P35367 2/20 0.31
DRD3 P35462 2/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
DRD4 P21917 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL2459758 0.90 HSD17B10 (0.40) HSD17B10CYP2D6CACNA1HGRIN2BCYP3A4
SCHEMBL3122103 0.89 DRD2 (0.43) HSD17B10DRD2CYP2D6SSTR5CYP3A4
SCHEMBL1331319 0.84 DRD2 (0.38) DRD2SSTR5METAP2HTR1AHTR2A
SCHEMBL2455515 0.81 DRD2 (0.39) DRD2SSTR5METAP2HTR1AHTR2A
SCHEMBL2461211 0.81 DRD2 (0.33) DRD2CYP2D6SSTR5METAP2
SCHEMBL2459740 0.79 DRD2 (0.33) DRD2CYP2D6SSTR5METAP2
SCHEMBL2457260 0.79 DRD2 (0.43) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL3113242 0.78 DRD2 (0.42) DRD2SSTR5HTR1AHTR2AHRH1
SCHEMBL3117382 0.78 CYP2D6 (0.41) HSD17B10DRD2CYP2D6CYP3A4USP2
SCHEMBL2462127 0.78 HSD17B10 (0.39) HSD17B10DRD2CYP2D6GRIN2BCYP3A4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367786-B1 NOVEL 1 -ALKYL- 3 -HYDROXY- 3 -PHENYLAZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2013-01-09 EP claimed
US-20110257148-A1 NOVEL 1-ALKYL-3-HYDROXY-3-PHENYLAZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-10-20 US claimed
EP-2367786-A1 NOVEL 1 -ALKYL- 3 -HYDROXY- 3 -PHENYLAZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-09-28 EP claimed
WO-2010058020-A1 NOVEL 1 -ALKYL- 3 -HYDROXY- 3 -PHENYLAZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-05-27 WO claimed
EP-2367786-B1 NOVEL 1 -ALKYL- 3 -HYDROXY- 3 -PHENYLAZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2013-01-09 EP disclosed
US-20110257148-A1 NOVEL 1-ALKYL-3-HYDROXY-3-PHENYLAZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-10-20 US disclosed
EP-2367786-A1 NOVEL 1 -ALKYL- 3 -HYDROXY- 3 -PHENYLAZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-09-28 EP disclosed
WO-2010058020-A1 NOVEL 1 -ALKYL- 3 -HYDROXY- 3 -PHENYLAZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-05-27 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-20110257148-A1 NOVEL 1-ALKYL-3-HYDROXY-3-PHENYLAZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION DBH, SLC6A3, ADRA2B HSD17B10 3547/4885DRD2 7/4885CYP2D6 675/4885

“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.