SCHEMBL1024284

SCHEMBL1024284

COc1ccc(CN2CCC(Nc3ccc(C(F)(F)F)nn3)CC2)cc1F

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.78
DRD3 P35462 1/20 0.78
SSTR5 P35346 3/20 0.46
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
JAK3 P52333 1/20 0.45
MCHR1 Q99705 2/20 0.45
KCNH2 Q12809 1/20 0.45
EHMT2 Q96KQ7 4/20 0.45
NSD2 O96028 2/20 0.44
ACHE P22303 2/20 0.43
DRD4 P21917 2/20 0.43
SIGMAR1 Q99720 1/20 0.42

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
Jnj-37822681 SCHEMBL29634868 0.88 DRD3 (1.00) DRD2DRD3JAK2JAK1JAK3
Jnj-37822681 SCHEMBL30349143 0.88 DRD3 (1.00) DRD2DRD3JAK2JAK1JAK3
Jnj-37822681 SCHEMBL1022639 0.88 DRD3 (1.00) DRD2DRD3JAK2JAK1JAK3
SCHEMBL4995640 0.85 DRD2 (0.82) DRD2DRD3JAK2JAK1JAK3
SCHEMBL1022610 0.84 DRD2 (0.82) DRD2DRD3SSTR5MCHR1ACHE
SCHEMBL5001494 0.83 DRD2 (0.82) DRD2DRD3MCHR1KCNH2ACHE
SCHEMBL31635706 0.82 DRD2 (0.78) DRD2DRD3SSTR5EHMT2ACHE
SCHEMBL1020863 0.82 DRD2 (0.78) DRD2DRD3SSTR5EHMT2ACHE
SCHEMBL4997907 0.81 DRD2 (0.76) DRD2DRD3EHMT2ACHESIGMAR1
SCHEMBL1022665 0.81 DRD2 (0.75) DRD2DRD3EHMT2ACHESIGMAR1

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 11 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
EP-1943242-A1 PIPERIDIN-4-YL-PYRIDAZIN-3-YLAMINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-16 EP disclosed
WO-2007048779-A1 PIPERIDIN-4-YL-PYRIDAZIN-3-YLAMINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 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-20170022181-A1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2A, GRIN2C DRD2 1/4885DRD3 14/4885SSTR5 438/4885
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 DRD2 20/4885DRD3 42/4885SSTR5 2179/4885
US-20150141432-A1 PIPERIDIN-4-YL-PYRIDAZIN-3-YLAMINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2C, GRIN2A DRD2 1/4885DRD3 10/4885SSTR5 520/4885

“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.