SCHEMBL3860955

SCHEMBL3860955

CCN1CCC(O)(c2cccc(OC(F)(F)F)c2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
SLC6A1 P30531 1/20 0.39
SLC6A12 P48065 1/20 0.39
SLC6A11 P48066 1/20 0.39
SLC6A13 Q9NSD5 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
CCR1 P32246 1/20 0.38
HSD11B1 P28845 1/20 0.38
OPRL1 P41146 3/20 0.38
DRD2 P14416 3/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
KMT2A Q03164 1/20 0.36
PKLR P30613 1/20 0.36
CCR8 P51685 1/20 0.36
POLB P06746 1/20 0.35
SLC6A3 Q01959 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL5500292 0.94 CCR1 (0.41) TSHRSLC6A1SLC6A12SLC6A11SLC6A13
SCHEMBL2782539 0.90 CCR1 (0.43) TSHRSLC6A1SLC6A12SLC6A11SLC6A13
SCHEMBL3852305 0.88 CCR1 (0.43) TSHRSLC6A1SLC6A12SLC6A11SLC6A13
SCHEMBL3851762 0.82 SLC6A1 (0.39) SLC6A1SLC6A12SLC6A11SLC6A13HSD11B1
SCHEMBL3772165 0.82 OPRL1 (0.39) CCR1HSD11B1OPRL1DRD2OPRM1
SCHEMBL2783234 0.81 PKLR (0.43) CCR1HSD11B1OPRL1DRD2OPRM1
SCHEMBL3852472 0.81 OPRL1 (0.43) HSD11B1OPRL1DRD2OPRM1OPRD1
SCHEMBL2783213 0.79 ALDH1A1 (0.50) SLC6A1SLC6A12SLC6A11SLC6A13OPRL1
SCHEMBL2782630 0.79 PDK2 (0.44) TSHRKMT2APKLR
SCHEMBL3858989 0.79 DRD2 (0.46) HSD11B1OPRL1DRD2OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765779-B1 NEW SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2009-11-18 EP claimed
US-7579474-B2 Substituted piperidines as modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH AB, SVERIGE (DK) 2009-08-25 US claimed
US-20070270467-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2007-11-22 US claimed
CN-101076517-A Novel substituted piperidines as modulators of dopamine neurotransmission CARLSSON A RESEARCH AB (SE) 2007-11-21 CN claimed
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

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 TSHR 317/4885SLC6A1 114/4885SLC6A12 1544/4885

“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.