SCHEMBL1021167

SCHEMBL1021167

CN(c1ccc(Cl)nn1)C1CCN(CC2=CCCCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 14/20 0.40
JAK2 O60674 1/20 0.40
CCR1 P32246 3/20 0.38
CX3CR1 P49238 2/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL4997273 0.79 DRD2 (0.49) JAK2CYP2D6
SCHEMBL1074099 0.76 JAK2 (0.47) JAK2
SCHEMBL1019624 0.76 DRD3 (0.45) CXCR3JAK2
SCHEMBL4997917 0.75 JAK2 (0.46) JAK2
SCHEMBL1022272 0.75 JAK2 (0.41) CXCR3JAK2CYP2D6
SCHEMBL5005077 0.75 MAP4K4 (0.43) JAK2CYP2D6
SCHEMBL5001584 0.74 JAK2 (0.41) CXCR3JAK2CYP2D6
SCHEMBL1021257 0.74 SCN1A (0.44) CXCR3JAK2
SCHEMBL1020864 0.73 OPRM1 (0.44) JAK2
SCHEMBL1023234 0.73 KDM4E (0.46) CXCR3JAK2CYP2D6

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
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
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 CXCR3 4124/4885JAK2 2291/4885CCR1 4160/4885
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 4534/4885JAK2 1834/4885CCR1 3595/4885
US-20150141432-A1 PIPERIDIN-4-YL-PYRIDAZIN-3-YLAMINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2C, GRIN2A CXCR3 4579/4885JAK2 1290/4885CCR1 4250/4885

“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.