SCHEMBL1579929

SCHEMBL1579929

Fc1ccc(C#Cc2cc(N3CCNCC3)nnc2C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.43
BPTF Q12830 2/20 0.43
ADRB2 P07550 1/20 0.36
HTR7 P34969 3/20 0.35
HTR1A P08908 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 1/20 0.35
CYP2C9 P11712 1/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR1D P28221 1/20 0.34
HTR2C P28335 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HTR2B P41595 1/20 0.34
HTR6 P50406 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL2957583 0.78 HTR7 (0.48) ADRB1BPTFADRB2HTR7HTR1A
SCHEMBL12635642 0.77 ADK (0.41)
SCHEMBL2955161 0.77 HTR7 (0.47) ADRB1BPTFADRB2HTR7HTR1A
SCHEMBL1580030 0.75 SLC6A2 (0.52) ADRB1BPTFADRB2HTR7HTR1A
SCHEMBL1880939 0.75 BPTF (0.58) ADRB1BPTFADRB2HTR7HTR1A
SCHEMBL1579254 0.74 BPTF (0.43) ADRB1BPTFADRB2HTR7HTR1A
SCHEMBL1579251 0.74 BPTF (0.43) ADRB1BPTFADRB2HTR7HTR1A
SCHEMBL1579440 0.74 BPTF (0.43) ADRB1BPTFADRB2HTR7HTR1A
SCHEMBL1579592 0.72 PRMT5 (0.45) ADRB1BPTFHTR1AHTR2CHTR6
SCHEMBL1877422 0.72 BPTF (0.44) ADRB1BPTFADRB2HTR3AHTR6

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 10 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 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
EP-2310374-B1 SUBSTITUTED 6- (1-PIPERAZINYL) -PYRIDAZINES AS 5-HT6 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2012-10-31 EP 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
EP-2310374-A1 SUBSTITUTED 6- (1-PIPERAZINYL) -PYRIDAZINES AS 5-HT6 RECEPTOR ANTAGONISTS Janssen Pharmaceutica N.V. (BE) 2011-04-20 EP 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 ADRB1 112/4885BPTF 2547/4885ADRB2 87/4885

“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.