SCHEMBL3766313

SCHEMBL3766313

CC(C)(C)OC(=O)N1CCC(O)(c2cccc(F)c2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.48
PDK2 Q15119 1/20 0.45
PKLR P30613 7/20 0.44
RORC P51449 2/20 0.44
USP30 Q70CQ3 1/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
TACR1 P25103 1/20 0.41

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
SCHEMBL30149943 0.93 USP30 (0.45) GPR119PDK2PKLRRORCUSP30
SCHEMBL2426422 0.93 USP30 (0.45) GPR119PDK2PKLRRORCUSP30
SCHEMBL1513306 0.90 PDK2 (0.49) GPR119PDK2RORCALOX15TSHR
SCHEMBL1329957 0.87 GPR119 (0.44) GPR119PDK2RORCUSP30
SCHEMBL2781826 0.87 TACR1 (0.45) GPR119PDK2RORCUSP30ALOX15
SCHEMBL2782960 0.86 PDK2 (0.42) GPR119PDK2RORCUSP30ALOX15
SCHEMBL15595090 0.85 PDK2 (0.46) GPR119PDK2RORCALOX15TSHR
SCHEMBL2782630 0.85 PDK2 (0.44) GPR119PDK2PKLRRORCUSP30
SCHEMBL25388886 0.83 GPR119 (0.43) GPR119PDK2RORCALOX15TSHR
SCHEMBL14660533 0.82 RORC (0.45) GPR119PDK2RORCUSP30ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851629-B2 Disubstituted phenylpiperidines as modulators of dopamine and serotonin neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-12-14 US disclosed
EP-1768958-B1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2009-11-18 EP disclosed
US-20070179185-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2007-08-02 US disclosed
EP-1768958-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-04-04 EP disclosed
WO-2005121088-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN 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-20070179185-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION DRD2, DRD4, HTR4 GPR119 223/4885PDK2 1711/4885PKLR 3952/4885

“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.