SCHEMBL2955161

SCHEMBL2955161

Fc1ccc(-c2ccc(-c3cc(N4CCNCC4)nnc3C(F)(F)F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.47
HTR1A P08908 3/20 0.46
MAPK11 Q15759 4/20 0.45
MAPK14 Q16539 4/20 0.45
CSNK1D P48730 3/20 0.45
BPTF Q12830 2/20 0.45
ADRB1 P08588 1/20 0.43
ACVR1 Q04771 1/20 0.42
HTR6 P50406 3/20 0.41
HTR2B P41595 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC3 O15379 3/20 0.39
HDAC2 Q92769 3/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
ADRB2 P07550 1/20 0.39
HTR1D P28221 1/20 0.38
HTR3A P46098 1/20 0.38

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
SCHEMBL2957583 0.99 HTR7 (0.48) HTR7HTR1AMAPK11MAPK14CSNK1D
Tert-Butyl Formate SCHEMBL27764681 0.87 HTR7 (0.39) HTR7HTR1AMAPK11MAPK14CSNK1D
SCHEMBL2954143 0.87 MAPK14 (0.60) HTR7HTR1AMAPK11MAPK14CSNK1D
Hydrochloric Acid SCHEMBL2955401 0.86 MAPK14 (0.58) HTR7HTR1AMAPK11MAPK14CSNK1D
SCHEMBL2966797 0.80 MAPK14 (0.46) MAPK11MAPK14CSNK1DBPTFADRB1
SCHEMBL4443140 0.79 KDM4E (0.41) MAPK11MAPK14CSNK1D
SCHEMBL1580030 0.78 SLC6A2 (0.52) HTR7HTR1ABPTFADRB1ADRB2
SCHEMBL1880939 0.78 BPTF (0.58) HTR7HTR1ABPTFADRB1HTR6
Tert-Butyl Formate SCHEMBL27764702 0.77 ADRA2B (0.38) MAPK11MAPK14CSNK1DBPTFADRB1
SCHEMBL1686107 0.77 CYP1A2 (0.50) HTR7HTR1ABPTFADRB1ACVR1

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 HTR7 121/4885HTR1A 48/4885MAPK11 1663/4885
US-20100069394-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2C, GRIN2A HTR7 121/4885HTR1A 48/4885MAPK11 1663/4885

“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.