SCHEMBL4997907

SCHEMBL4997907

Fc1cc(F)cc(CN2CCC(Nc3ccc(C(F)(F)F)nn3)CC2)c1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.76
DRD3 P35462 1/20 0.76
ACHE P22303 2/20 0.49
SIGMAR1 Q99720 3/20 0.43
BCHE P06276 1/20 0.42
BACE1 P56817 1/20 0.42
UBE2M P61081 2/20 0.41
DCUN1D1 Q96GG9 2/20 0.41
CXCR3 P49682 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PRKAA2 P54646 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
CCR3 P51677 2/20 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
SCHEMBL1022665 0.90 DRD2 (0.75) DRD2DRD3ACHESIGMAR1BCHE
SCHEMBL1022610 0.90 DRD2 (0.82) DRD2DRD3ACHESIGMAR1BCHE
SCHEMBL31635706 0.89 DRD2 (0.78) DRD2DRD3ACHESIGMAR1BCHE
SCHEMBL1020863 0.89 DRD2 (0.78) DRD2DRD3ACHESIGMAR1BCHE
Jnj-37822681 SCHEMBL1022639 0.86 DRD3 (1.00) DRD2DRD3ACHESIGMAR1CXCR3
Jnj-37822681 SCHEMBL29634868 0.86 DRD3 (1.00) DRD2DRD3ACHESIGMAR1CXCR3
Jnj-37822681 SCHEMBL30349143 0.86 DRD3 (1.00) DRD2DRD3ACHESIGMAR1CXCR3
SCHEMBL1022190 0.85 DRD2 (0.78) DRD2DRD3ACHESIGMAR1BCHE
SCHEMBL4995640 0.84 DRD2 (0.82) DRD2DRD3ACHESIGMAR1BCHE
SCHEMBL5001494 0.84 DRD2 (0.82) DRD2DRD3ACHEBCHEBACE1

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 7 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
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 DRD2 1/4885DRD3 14/4885ACHE 277/4885
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 42/4885ACHE 44/4885
US-20150141432-A1 PIPERIDIN-4-YL-PYRIDAZIN-3-YLAMINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2C, GRIN2A DRD2 1/4885DRD3 10/4885ACHE 271/4885

“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.