SCHEMBL3850487

SCHEMBL3850487

OC1(c2cccc(C(F)(F)F)c2F)CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.45
TACR1 P25103 2/20 0.39
PDK2 Q15119 1/20 0.39
HTR2C P28335 2/20 0.37
PDE7A Q13946 1/20 0.37
DRD2 P14416 1/20 0.37
HDAC4 P56524 1/20 0.36
EPHX2 P34913 1/20 0.34
REN P00797 1/20 0.33
CYP3A4 P08684 1/20 0.33
KCNH2 Q12809 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
TRPV6 Q9H1D0 1/20 0.33
NCF1 P14598 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
P2RX7 Q99572 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
Tert-Butyl Formate SCHEMBL27659693 0.87 SIGMAR1 (0.42) SIGMAR1TACR1PDK2PDE7AHDAC4
SCHEMBL29980126 0.85 SIGMAR1 (0.53) SIGMAR1TACR1PDK2HTR2CPDE7A
SCHEMBL1513500 0.85 SIGMAR1 (0.53) SIGMAR1TACR1PDK2HTR2CPDE7A
Hydrochloric Acid SCHEMBL3326791 0.84 SIGMAR1 (0.51) SIGMAR1TACR1PDK2HTR2CPDE7A
SCHEMBL2271814 0.83 SIGMAR1 (0.48) SIGMAR1TACR1PDK2HTR2CPDE7A
SCHEMBL3850774 0.83 SIGMAR1 (0.44) SIGMAR1TACR1PDK2HTR2CPDE7A
SCHEMBL15076841 0.80 SIGMAR1 (0.50) SIGMAR1PDK2HTR2CPDE7ADRD2
SCHEMBL3769750 0.79 OPRD1 (0.38) PDK2CYP3A4P2RX7
SCHEMBL2270695 0.78 SIGMAR1 (0.47) SIGMAR1PDK2HTR2CDRD2HDAC4
SCHEMBL3853965 0.76 OPRM1 (0.43) SIGMAR1HTR2CDRD2CYP3A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101076517-B Substituted piperidines as modulators of dopamine neurotransmission NSAB AF NEUROSEARCH SWEDEN AB 2010-12-15 CN disclosed
EP-1765779-B1 NEW SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2009-11-18 EP disclosed
US-7579474-B2 Substituted piperidines as modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH AB, SVERIGE (DK) 2009-08-25 US disclosed
US-20070270467-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2007-11-22 US disclosed
CN-101076517-A Novel substituted piperidines as modulators of dopamine neurotransmission CARLSSON A RESEARCH AB (SE) 2007-11-21 CN disclosed
EP-1765779-A1 NEW SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-03-28 EP disclosed
WO-2005121092-A1 NEW SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 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-20070270467-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION DRD2, PRLHR, DRD3 SIGMAR1 102/4885TACR1 61/4885PDK2 748/4885

“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.