SCHEMBL667704

SCHEMBL667704

c1cn(-c2ccc(C34CCCN(CC3)C4)nn2)cn1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL1483681 0.80 ALOX5AP (0.40) MAPTSMN1; SMN2KMT2ACYP1A2CYP3A4
SCHEMBL13089333 0.73 CYP1A2 (0.37) CYP1A2
SCHEMBL2819722 0.73
Hydrochloric Acid SCHEMBL2821304 0.72 CYP1A2 (0.36) CYP1A2
Bromide SCHEMBL668001 0.72
SCHEMBL31241182 0.71 MAPT (0.61) MAPTSMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL28581728 0.71 MAPT (0.61) MAPTSMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL4264723 0.69 ALOX5AP (0.39)
SCHEMBL668390 0.69 ACHE (0.36) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL27419619 0.68 CYP1A2 (0.51) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1922320-B1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2010-10-27 EP claimed
US-8557819-B2 Derivatives of 5-pyridazinyl-1-azabicyclo[3.2.1]octane, preparation method thereof and use of same in therapeutics SANOFI (FR) 2013-10-15 US disclosed
US-20120046298-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2012-02-23 US disclosed
EP-1922320-B1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2010-10-27 EP 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-20120046298-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS TPMT, DHFR, S1PR5 MAPT 2187/4885SMN1; SMN2 1907/4885MEN1 665/4885

“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.