SCHEMBL1019624

SCHEMBL1019624

CN(c1ccc(Cl)nn1)C1CCN(Cc2ccc(F)c(F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.45
DRD2 P14416 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
CACNA1H O95180 1/20 0.42
JAK2 O60674 3/20 0.41
JAK1 P23458 2/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 2/20 0.41
SIGMAR1 Q99720 6/20 0.40
DRD4 P21917 4/20 0.40
TMEM97 Q5BJF2 2/20 0.40
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
CXCR3 P49682 1/20 0.39
KCNH2 Q12809 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
CACNA2D1 P54289 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
SCHEMBL1021257 0.91 SCN1A (0.44) DRD3DRD2ALDH1A1JAK2SIGMAR1
SCHEMBL1022562 0.90 KDM4E (0.47) DRD3DRD2ALDH1A1JAK2KDM4E
SCHEMBL5001584 0.90 JAK2 (0.41) DRD3DRD2ALDH1A1JAK2SIGMAR1
SCHEMBL1022659 0.89 JAK2 (0.45) DRD3DRD2JAK2JAK1TYK2
SCHEMBL5005077 0.86 MAP4K4 (0.43) DRD3DRD2ALDH1A1JAK2SIGMAR1
SCHEMBL1022277 0.86 DRD3 (0.62) DRD3DRD2ALDH1A1HTTCACNA1H
SCHEMBL1021639 0.84 JAK2 (0.47) JAK2JAK1TYK2JAK3CXCR3
SCHEMBL4997273 0.83 DRD2 (0.49) DRD3DRD2ALDH1A1JAK2SIGMAR1
SCHEMBL1020794 0.83 SCN1A (0.44) HTTJAK2CXCR3
SCHEMBL1022308 0.82 CYP3A4 (0.50) DRD3ALDH1A1HTTJAK2JAK1

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 8 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
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 DRD3 14/4885DRD2 1/4885ALDH1A1 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 DRD3 42/4885DRD2 20/4885ALDH1A1 1819/4885
US-20150141432-A1 PIPERIDIN-4-YL-PYRIDAZIN-3-YLAMINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2C, GRIN2A DRD3 10/4885DRD2 1/4885ALDH1A1 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.