SCHEMBL3768100

SCHEMBL3768100

C=CCN1CCC(c2cccc(OC(F)(F)F)c2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
DRD2 P14416 8/20 0.37
DRD1 P21728 3/20 0.37
DRD5 P21918 3/20 0.37
DRD4 P21917 3/20 0.37
DRD3 P35462 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
P2RX7 Q99572 1/20 0.36
ATM Q13315 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTR1A P08908 6/20 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
SCHEMBL5525445 0.94 DRD2 (0.38) MEN1KMT2ADRD2DRD1DRD5
SCHEMBL2783246 0.88 DRD2 (0.37) MEN1KMT2ADRD2DRD1DRD5
SCHEMBL3772533 0.87 SIGMAR1 (0.39) MEN1KMT2ADRD2DRD1DRD5
SCHEMBL3767620 0.86 DRD2 (0.39) MEN1KMT2ADRD2DRD1DRD5
SCHEMBL2783420 0.86 DRD2 (0.37) MEN1KMT2ADRD2DRD1DRD5
SCHEMBL3761431 0.84 DRD2 (0.44) MEN1KMT2ADRD2DRD3P2RX7
SCHEMBL3764817 0.83 MEN1 (0.38) MEN1KMT2ADRD2DRD1DRD5
SCHEMBL2783391 0.83 DRD2 (0.54) MEN1KMT2ADRD2DRD1DRD5
SCHEMBL2785522 0.83 DRD2 (0.39) MEN1KMT2ADRD2DRD1DRD5
SCHEMBL3765947 0.82 DRD2 (0.57) DRD2DRD1DRD5DRD4DRD3

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
US-7851629-B2 Disubstituted phenylpiperidines as modulators of dopamine and serotonin neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-12-14 US claimed
EP-1768958-B1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2009-11-18 EP claimed
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 claimed
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

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 MEN1 3429/4885KMT2A 3190/4885DRD2 1/4885

“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.