SCHEMBL1581409

SCHEMBL1581409

CCCCCc1ccc(N2CCNCC2)nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BPTF Q12830 5/20 0.50
▸ CETP P11597 1/20 0.40
▸ HRH4 Q9H3N8 2/20 0.39
▸ HTR2C P28335 2/20 0.38
▸ HTR3E A5X5Y0 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HTR3B O95264 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ PMP22 Q01453 1/20 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
SCHEMBL21414340 0.89 BPTF (0.54) BPTFHTR2CHTR3EKDM4EUSP2
SCHEMBL21414326 0.83 BPTF (0.57) BPTFHTR2CHTR3EKDM4EUSP2
SCHEMBL15742052 0.76 BPTF (0.47) BPTFHRH4HTR2CCYP3A4PLD1
SCHEMBL22941955 0.73 KCNH2 (0.61) HTR2CKDM4EALDH1A1CYP3A4SLC6A4
SCHEMBL3640716 0.71 HRH3 (0.52) CETPHRH4HTR2CHTR3EKDM4E
SCHEMBL7363690 0.71 AOC3 (0.54) HRH4HTR2CADRB1HTR6PLD1
SCHEMBL5330907 0.71 CETP (0.49) CETPHRH4HTR2CKDM4EALDH1A1
SCHEMBL4563936 0.71 HTR2C (0.37) BPTFCETPHRH4HTR2CKDM4E
SCHEMBL12356537 0.71 KCNH2 (0.59) HTR2CKDM4EALDH1A1CYP3A4SLC6A4
SCHEMBL8326134 0.71 BPTF (0.62) BPTFHTR2CHTR3EKDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 BPTF 2547/4885CETP 4454/4885HRH4 60/4885

“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.

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