SCHEMBL1022308

SCHEMBL1022308

CN(c1ccc(Cl)nn1)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 2/20 0.46
KCNH2 Q12809 2/20 0.46
CACNA1I Q9P0X4 1/20 0.46
SIGMAR1 Q99720 4/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
DRD4 P21917 3/20 0.44
UBE2M P61081 2/20 0.44
DCUN1D1 Q96GG9 2/20 0.44
PIM1 P11309 1/20 0.44
SCN1A P35498 1/20 0.44
SCN8A Q9UQD0 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
JAK3 P52333 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL1022217 0.88 KDM4E (0.51) CYP3A4KDM4EALDH1A1GAALMNA
SCHEMBL1022588 0.88 KDM4E (0.51) CYP3A4KDM4EALDH1A1GAALMNA
SCHEMBL1022629 0.87 CXCR3 (0.43) CYP3A4KCNH2UBE2MDCUN1D1SCN8A
SCHEMBL4997273 0.85 DRD2 (0.49) CYP3A4ALDH1A1LMNAKCNH2SIGMAR1
SCHEMBL27718065 0.85 SLC2A1 (0.41) CYP3A4KDM4EALDH1A1GAALMNA
SCHEMBL1021639 0.83 JAK2 (0.47) KCNH2SCN1ASCN8AJAK2JAK1
SCHEMBL1022659 0.82 JAK2 (0.45) KCNH2DRD4SCN1ASCN8AJAK2
SCHEMBL1021367 0.82 CXCR3 (0.40) CYP3A4KCNH2DCUN1D1PIM1SCN1A
SCHEMBL1019624 0.82 DRD3 (0.45) KDM4EALDH1A1KCNH2SIGMAR1DRD4
SCHEMBL5005077 0.81 MAP4K4 (0.43) CYP3A4ALDH1A1LMNAKCNH2SIGMAR1

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 CYP3A4 2083/4885KDM4E 2968/4885ALDH1A1 2166/4885
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 CYP3A4 1968/4885KDM4E 2792/4885ALDH1A1 1819/4885
US-20150141432-A1 PIPERIDIN-4-YL-PYRIDAZIN-3-YLAMINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2C, GRIN2A CYP3A4 1643/4885KDM4E 1691/4885ALDH1A1 1949/4885

“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.