SCHEMBL2957583

SCHEMBL2957583

Fc1ccc(-c2cc(N3CCNCC3)nnc2C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.48
MAPK11 Q15759 4/20 0.46
MAPK14 Q16539 4/20 0.46
CSNK1D P48730 3/20 0.46
BPTF Q12830 2/20 0.46
HTR1A P08908 3/20 0.44
ADRB1 P08588 1/20 0.44
HTR6 P50406 3/20 0.42
HTR2B P41595 2/20 0.42
ACVR1 Q04771 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 1/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
ADRB2 P07550 1/20 0.39
HTR1D P28221 1/20 0.39
HTR3A P46098 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL2955161 0.99 HTR7 (0.47) HTR7MAPK11MAPK14CSNK1DBPTF
Tert-Butyl Formate SCHEMBL27764681 0.88 HTR7 (0.39) HTR7MAPK11MAPK14CSNK1DBPTF
SCHEMBL2954143 0.88 MAPK14 (0.60) HTR7MAPK11MAPK14CSNK1DBPTF
Hydrochloric Acid SCHEMBL2955401 0.87 MAPK14 (0.58) HTR7MAPK11MAPK14CSNK1DBPTF
SCHEMBL2966797 0.81 MAPK14 (0.46) MAPK11MAPK14CSNK1DBPTFADRB1
SCHEMBL4443140 0.80 KDM4E (0.41) MAPK11MAPK14CSNK1D
SCHEMBL1580030 0.79 SLC6A2 (0.52) HTR7BPTFHTR1AADRB1ADRB2
SCHEMBL1880939 0.79 BPTF (0.58) HTR7BPTFHTR1AADRB1HTR6
Tert-Butyl Formate SCHEMBL27764702 0.78 ADRA2B (0.38) MAPK11MAPK14CSNK1DBPTFADRB1
SCHEMBL1686107 0.78 CYP1A2 (0.50) HTR7BPTFHTR1AADRB1HTR6

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 17 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-20110112107-A1 SUBSTITUTED 6-(1-PIPERAZINYL)-PYRIDAZINES AS 5-HT6 RECEPTOR ANTAGONISTS JANSSEN-CILAG S.A. (ES) 2011-05-12 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
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 (3 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-20110112107-A1 SUBSTITUTED 6-(1-PIPERAZINYL)-PYRIDAZINES AS 5-HT6 RECEPTOR ANTAGONISTS HTR6, HTR5A, HTR1A HTR7 13/4885MAPK11 3338/4885MAPK14 3821/4885
US-20140336381-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2C, GRIN2A HTR7 121/4885MAPK11 1663/4885MAPK14 2169/4885
US-20100069394-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2C, GRIN2A HTR7 121/4885MAPK11 1663/4885MAPK14 2169/4885

“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.