SCHEMBL1754562

SCHEMBL1754562

Cc1cc(-c2ccccc2)nnc1CN1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.61
CYP3A4 P08684 3/20 0.61
LMNA P02545 2/20 0.61
CYP2D6 P10635 2/20 0.61
CHRM1 P11229 2/20 0.61
CYP1A2 P05177 1/20 0.61
CNR1 P21554 1/20 0.61
HTR2B P41595 1/20 0.61
KCNH2 Q12809 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
CYP2A13 Q16696 1/20 0.49
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL1752963 0.78 ACHE (0.61) ACHECYP3A4LMNACYP2D6CHRM1
SCHEMBL1752980 0.76 LMNA (0.55) ACHECYP3A4LMNACYP2D6CHRM1
SCHEMBL1752848 0.76 LMNA (0.61) ACHECYP3A4LMNACYP2D6CHRM1
SCHEMBL1752952 0.76 ACHE (0.56) ACHECYP3A4LMNACYP2D6CHRM1
Minaprine SCHEMBL49371 0.76 ACHE (1.00) ACHECYP3A4LMNACYP2D6CHRM1
SCHEMBL1752816 0.75 LMNA (0.60) ACHECYP3A4LMNACYP2D6CHRM1
Minaprine SCHEMBL124092 0.75 CYP3A4 (1.00) ACHECYP3A4LMNACYP2D6CHRM1
Minaprine SCHEMBL124094 0.75 CYP3A4 (1.00) ACHECYP3A4LMNACYP2D6CHRM1
SCHEMBL1752823 0.74 LMNA (0.59) ACHECYP3A4LMNACYP2D6CHRM1
Minaprine SCHEMBL124093 0.74 ACHE (0.95) ACHECYP3A4LMNACYP2D6CHRM1

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-8367672-B2 Pyridazine compounds, compositions and methods UNIVERSITE DE STRASBOURG (FR) 2013-02-05 US disclosed
US-20120245125-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS UNIVERSITE LOUIS PASTEUR DE STRASBOURG (FR) 2012-09-27 US disclosed
US-20120157410-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS U.S. GOVERNMENT (US) 2012-06-21 US disclosed
US-8158627-B2 Compositions and treatments using pyridazine compounds and cholinesterase inhibitors NORTHWESTERN UNIVERSITY (US) 2012-04-17 US disclosed
US-20100210590-A1 COMPOSITIONS AND TREATMENTS FOR SEIZURE-RELATED DISORDERS NORTHWESTERN UNIVERSITY (US) 2010-08-19 US disclosed
US-20090197885-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 US disclosed
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods UNIVERSITE DE STRASBOURG (FR) 2008-12-25 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 (5 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-20090197885-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 ACHE 1/4885CYP3A4 1770/4885LMNA 2503/4885
US-20120157410-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 ACHE 1/4885CYP3A4 1770/4885LMNA 2503/4885
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods APP, PSEN1, PSEN2 ACHE 214/4885CYP3A4 1218/4885LMNA 2393/4885
US-20120245125-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP ACHE 172/4885CYP3A4 979/4885LMNA 2192/4885
US-20100210590-A1 COMPOSITIONS AND TREATMENTS FOR SEIZURE-RELATED DISORDERS C5, PNPO, CHRNA5 ACHE 225/4885CYP3A4 344/4885LMNA 1094/4885

“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.