SCHEMBL1021367

SCHEMBL1021367

CN(c1ccc(Cl)nn1)C1CCN(Cc2cc(C(F)(F)F)ccc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 4/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
KCNH2 Q12809 3/20 0.39
GPR119 Q8TDV5 2/20 0.39
SCN1A P35498 5/20 0.39
SCN8A Q9UQD0 5/20 0.39
JAK2 O60674 2/20 0.38
P2RX7 Q99572 1/20 0.38
PIM1 P11309 1/20 0.38
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
RORC P51449 1/20 0.37
CYP3A4 P08684 1/20 0.36
SCN5A Q14524 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36

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
SCHEMBL1020794 0.88 SCN1A (0.44) CXCR3SCN1ASCN8AJAK2SCN5A
SCHEMBL1022308 0.82 CYP3A4 (0.50) KCNH2SCN1ASCN8AJAK2PIM1
SCHEMBL1022659 0.82 JAK2 (0.45) CXCR3KCNH2GPR119SCN1ASCN8A
SCHEMBL1022629 0.82 CXCR3 (0.43) CXCR3KCNH2GPR119SCN8AJAK2
SCHEMBL1019624 0.81 DRD3 (0.45) CXCR3KCNH2GPR119JAK2JAK1
SCHEMBL5001584 0.80 JAK2 (0.41) CXCR3KCNH2GPR119SCN1ASCN8A
SCHEMBL1021257 0.79 SCN1A (0.44) CXCR3SCN1ASCN8AJAK2
SCHEMBL1022731 0.79 OPRM1 (0.45) CXCR3KCNH2SCN1ASCN8AJAK2
SCHEMBL5005077 0.78 MAP4K4 (0.43) KCNH2SCN1ASCN8AJAK2CYP3A4
SCHEMBL1022272 0.78 JAK2 (0.41) CXCR3SCN1ASCN8AJAK2RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751860-B2 Piperidin-4YL-pyridazin-3-ylamine derivatives as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2017-09-05 US disclosed
US-20170022181-A1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DE BRUYN MARCEL FRANS LEOPOLD (BE) 2017-01-26 US disclosed
US-9468640-B2 Piperidin-4-yl-pyridazin-3-ylamine derivatives as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2016-10-18 US disclosed
US-20150141432-A1 PIPERIDIN-4-YL-PYRIDAZIN-3-YLAMINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-05-21 US disclosed
US-8940743-B2 Piperidin-4-yl-pyridazin-3-ylamine derivatives as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2015-01-27 US disclosed
CN-101291925-B Piperidin-4-yl-pyridazin-3-ylamine derivatives as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV 2013-04-10 CN disclosed
EP-1943242-B1 PIPERIDIN-4-YL-PYRIDAZIN-3-YLAMINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-01-12 EP disclosed
CN-101291925-A Piperidin-4-yl-pyridazin-3-ylamine derivatives as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2008-10-22 CN disclosed
US-20080227791-A1 treating or preventing central nervous system disorders, for example schizophrenia, by exerting an antipsychotic effect without motor side effects; N-[1-(4-fluorobenzyl)piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-18 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 (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-20170022181-A1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2A, GRIN2C CXCR3 4124/4885ALOX5AP 2704/4885FEN1 4679/4885
US-20080227791-A1 treating or preventing central nervous system disorders, for example schizophrenia, by exerting an antipsychotic effect without motor side effects; N-[1-(4-fluorobenzyl)piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine GRIN2C, GRIN2A, GRIN3A CXCR3 4534/4885ALOX5AP 2824/4885FEN1 4856/4885
US-20150141432-A1 PIPERIDIN-4-YL-PYRIDAZIN-3-YLAMINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2C, GRIN2A CXCR3 4579/4885ALOX5AP 2449/4885FEN1 4829/4885

“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.