SCHEMBL2278508

SCHEMBL2278508

O=C(N1CCC(c2ccccc2OS(=O)(=O)C(F)(F)F)C1)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.60
DRD1 P21728 5/20 0.60
DRD4 P21917 5/20 0.60
DRD5 P21918 5/20 0.60
DRD3 P35462 5/20 0.60
RBP4 P02753 3/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
KDM1A O60341 1/20 0.39
HPGDS O60760 1/20 0.39

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
SCHEMBL2277102 0.84 DRD2 (0.44) DRD2DRD1DRD4DRD5DRD3
SCHEMBL2274616 0.83 MEN1 (0.60) DRD2RBP4MEN1KMT2A
SCHEMBL2280008 0.80 RBP4 (0.50) RBP4KDM1AHPGDS
SCHEMBL3552370 0.80 DRD2 (0.53) DRD2DRD1DRD4DRD5DRD3
SCHEMBL16520806 0.79 DRD2 (0.63) DRD2DRD1DRD4DRD5DRD3
SCHEMBL21590214 0.79 DRD2 (0.76) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4096013 0.78 DRD2 (0.64) DRD2DRD1DRD4DRD5DRD3
SCHEMBL22444937 0.78 DRD2 (0.60) DRD2DRD1DRD4DRD5DRD3
SCHEMBL6606604 0.78 SMN1; SMN2 (0.54) DRD2DRD1DRD4DRD5DRD3
SCHEMBL2273751 0.78 RBP4 (0.51) RBP4NPC1RAB9AATMKDM1A

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
US-8957059-B2 Modulators of serotonin receptors JANSSEN PHARMACEUTICA NV (BG) 2015-02-17 US disclosed
US-8957059-B2 Modulators of serotonin receptors JANSSEN PHARMACEUTICA NV (BG) 2015-02-17 US disclosed
US-20140038934-A1 MODULATORS OF SEROTONIN RECEPTORS JANSSEN PHARMACEUTICA NV (US) 2014-02-06 US disclosed
US-20140038934-A1 MODULATORS OF SEROTONIN RECEPTORS JANSSEN PHARMACEUTICA NV (US) 2014-02-06 US disclosed
US-8575364-B2 Modulators of serotonin receptor JANSSEN PHARMACEUTICA NV (BE) 2013-11-05 US disclosed
US-8575364-B2 Modulators of serotonin receptor JANSSEN PHARMACEUTICA NV (BE) 2013-11-05 US disclosed
US-20110207709-A1 MODULATORS OF SEROTONIN RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US disclosed
WO-2010059390-A1 MODULATORS OF SEROTONIN RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 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 (2 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-20140038934-A1 MODULATORS OF SEROTONIN RECEPTORS HTR1A, HTR2A, HTR6 DRD2 124/4885DRD1 327/4885DRD4 221/4885
US-20110207709-A1 MODULATORS OF SEROTONIN RECEPTOR HTR1A, HTR6, HTR2A DRD2 100/4885DRD1 301/4885DRD4 173/4885

“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.