SCHEMBL1880939

SCHEMBL1880939

Fc1ccc(Nc2cc(N3CCNCC3)nnc2C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 4/20 0.58
ADRB1 P08588 2/20 0.41
DPP4 P27487 1/20 0.40
IDH2 P48735 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
ADRB2 P07550 1/20 0.37
PIM1 P11309 1/20 0.36
PDE5A O76074 1/20 0.36
HDAC3 O15379 3/20 0.36
HDAC2 Q92769 3/20 0.36
HTR1A P08908 2/20 0.36
HTR7 P34969 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC1 Q13547 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR1D P28221 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
SCHEMBL1877422 0.82 BPTF (0.44) BPTFADRB1DPP4ADRB2HTR3A
SCHEMBL2957583 0.79 HTR7 (0.48) BPTFADRB1ADRB2PIM1HDAC3
SCHEMBL2955161 0.78 HTR7 (0.47) BPTFADRB1ADRB2PIM1HDAC3
SCHEMBL12635629 0.77 GALR2 (0.46)
SCHEMBL1580030 0.76 SLC6A2 (0.52) BPTFADRB1ADRB2HTR1AHTR7
SCHEMBL1579251 0.75 BPTF (0.43) BPTFADRB1ADRB2HTR1AHTR7
SCHEMBL1579254 0.75 BPTF (0.43) BPTFADRB1ADRB2HTR1AHTR7
SCHEMBL1579440 0.75 BPTF (0.43) BPTFADRB1ADRB2HTR1AHTR7
SCHEMBL1579929 0.75 ADRB1 (0.43) BPTFADRB1ADRB2HTR1AHTR7
SCHEMBL1579592 0.73 PRMT5 (0.45) BPTFADRB1HTR1AHTR2CHTR6

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102159554-B Substituted 6- (1-piperazinyl) -pyridazines as 5-ht6 receptor antagonists JANSSEN PHARMACEUTICA NV 2014-09-24 CN claimed
US-8530474-B2 Substituted 6-(1-piperazinyl)-pyridazines as 5-HT6 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-09-10 US claimed
EP-2310374-B1 SUBSTITUTED 6- (1-PIPERAZINYL) -PYRIDAZINES AS 5-HT6 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2012-10-31 EP claimed
CN-102159554-A Substituted 6- (1-piperazinyl) -pyridazines as 5-ht6 receptor antagonists JANSSEN PHARMACEUTICA NV 2011-08-17 CN claimed
US-20110112107-A1 SUBSTITUTED 6-(1-PIPERAZINYL)-PYRIDAZINES AS 5-HT6 RECEPTOR ANTAGONISTS JANSSEN-CILAG S.A. (ES) 2011-05-12 US claimed
CN-102159554-B Substituted 6- (1-piperazinyl) -pyridazines as 5-ht6 receptor antagonists JANSSEN PHARMACEUTICA NV 2014-09-24 CN disclosed
US-8530474-B2 Substituted 6-(1-piperazinyl)-pyridazines as 5-HT6 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-09-10 US disclosed
US-8530474-B2 Substituted 6-(1-piperazinyl)-pyridazines as 5-HT6 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-09-10 US disclosed
US-8530474-B2 Substituted 6-(1-piperazinyl)-pyridazines as 5-HT6 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-09-10 US disclosed
CN-102159554-A Substituted 6- (1-piperazinyl) -pyridazines as 5-ht6 receptor antagonists JANSSEN PHARMACEUTICA NV 2011-08-17 CN disclosed
US-20110112107-A1 SUBSTITUTED 6-(1-PIPERAZINYL)-PYRIDAZINES AS 5-HT6 RECEPTOR ANTAGONISTS JANSSEN-CILAG S.A. (ES) 2011-05-12 US disclosed
US-20110112107-A1 SUBSTITUTED 6-(1-PIPERAZINYL)-PYRIDAZINES AS 5-HT6 RECEPTOR ANTAGONISTS JANSSEN-CILAG S.A. (ES) 2011-05-12 US disclosed
US-20110112107-A1 SUBSTITUTED 6-(1-PIPERAZINYL)-PYRIDAZINES AS 5-HT6 RECEPTOR ANTAGONISTS JANSSEN-CILAG S.A. (ES) 2011-05-12 US disclosed
WO-2010000456-A1 SUBSTITUTED 6- (1-PIPERAZINYL) -PYRIDAZINES AS 5-HT6 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-01-07 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 (1 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-20110112107-A1 SUBSTITUTED 6-(1-PIPERAZINYL)-PYRIDAZINES AS 5-HT6 RECEPTOR ANTAGONISTS HTR6, HTR5A, HTR1A BPTF 2547/4885ADRB1 112/4885DPP4 1323/4885

“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.