SCHEMBL4997265

SCHEMBL4997265

CN(c1ccc(Cl)nn1)C1CCN(CC2CC=CCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.43
KDM4E B2RXH2 8/20 0.42
ALDH1A1 P00352 7/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 1/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
PARP1 P09874 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
SCHEMBL1074099 0.84 JAK2 (0.47) JAK2
SCHEMBL4997917 0.83 JAK2 (0.46) JAK2
SCHEMBL4997273 0.75 DRD2 (0.49) JAK2ALDH1A1LMNAMEN1KMT2A
SCHEMBL1021167 0.72 CXCR3 (0.40) JAK2
SCHEMBL1022272 0.71 JAK2 (0.41) JAK2ALDH1A1LMNAMEN1KMT2A
SCHEMBL5005077 0.71 MAP4K4 (0.43) JAK2ALDH1A1LMNATDP1TP53
SCHEMBL5001584 0.70 JAK2 (0.41) JAK2ALDH1A1LMNATDP1TP53
SCHEMBL22214277 0.70 JAK2 (0.44) JAK2ALDH1A1PKMLMNATSHR
SCHEMBL1020864 0.70 OPRM1 (0.44) JAK2MEN1KMT2APOLBHTT
SCHEMBL1019624 0.70 DRD3 (0.45) JAK2KDM4EALDH1A1HTT

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
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 JAK2 2291/4885KDM4E 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 JAK2 1834/4885KDM4E 2792/4885ALDH1A1 1819/4885
US-20150141432-A1 PIPERIDIN-4-YL-PYRIDAZIN-3-YLAMINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2C, GRIN2A JAK2 1290/4885KDM4E 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.