SCHEMBL2966797

SCHEMBL2966797

FC(F)(F)c1nnc(N2CCNCC2)cc1-c1ccsc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.46
MAPK11 Q15759 3/20 0.46
CSNK1D P48730 3/20 0.46
ADRB1 P08588 2/20 0.41
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 1/20 0.38
ADRB2 P07550 1/20 0.37
BPTF Q12830 1/20 0.37
MTOR P42345 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
DRD2 P14416 2/20 0.36
HTR6 P50406 2/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL2954143 0.82 MAPK14 (0.60) MAPK14MAPK11CSNK1DADRB1CYP1A2
Hydrochloric Acid SCHEMBL2955401 0.81 MAPK14 (0.58) MAPK14MAPK11CSNK1DADRB1CYP1A2
SCHEMBL2957583 0.81 HTR7 (0.48) MAPK14MAPK11CSNK1DADRB1CYP1A2
SCHEMBL2955161 0.80 HTR7 (0.47) MAPK14MAPK11CSNK1DADRB1CYP1A2
SCHEMBL2960301 0.77 GPR119 (0.46) ALDH1A1MAPT
SCHEMBL2965014 0.76 BPTF (0.43) MAPK14MAPK11CSNK1DADRB1CYP1A2
SCHEMBL2956180 0.75 CYP1A2 (0.53) MAPK14MAPK11CSNK1DADRB1CYP1A2
Tert-Butyl Formate SCHEMBL27786506 0.72 MAPK14 (0.48) MAPK14MAPK11CSNK1DADRB1CYP1A2
Tert-Butyl Formate SCHEMBL27764681 0.71 HTR7 (0.39) MAPK14MAPK11CSNK1DADRB1CYP1A2
Tert-Butyl Formate SCHEMBL27764702 0.71 ADRA2B (0.38) MAPK14MAPK11CSNK1DADRB1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422296-B2 Fast-dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2016-08-23 US disclosed
US-9422296-B2 Fast-dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2016-08-23 US disclosed
US-9422296-B2 Fast-dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2016-08-23 US disclosed
US-20140336381-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2014-11-13 US disclosed
US-20140336381-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2014-11-13 US disclosed
US-20140336381-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2014-11-13 US disclosed
US-8791120-B2 Fast-dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-07-29 US disclosed
US-8791120-B2 Fast-dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-07-29 US disclosed
US-8791120-B2 Fast-dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-07-29 US disclosed
EP-2121630-B1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2012-08-01 EP disclosed
US-20100069394-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, NV (BE) 2010-03-18 US disclosed
US-20100069394-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, NV (BE) 2010-03-18 US disclosed
US-20100069394-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, NV (BE) 2010-03-18 US disclosed
EP-2121630-A1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2009-11-25 EP disclosed
WO-2008098892-A1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 WO disclosed
WO-2008098892-A1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 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-20140336381-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2C, GRIN2A MAPK14 2169/4885MAPK11 1663/4885CSNK1D 752/4885
US-20100069394-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2C, GRIN2A MAPK14 2169/4885MAPK11 1663/4885CSNK1D 752/4885

“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.