SCHEMBL14728643

SCHEMBL14728643

CN1CCC2(CC1)CC2C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.45
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 1/20 0.35
PPP5C P53041 2/20 0.35
PPP2CA P67775 1/20 0.35
TFPI2 P48307 1/20 0.35
NPY4R P50391 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL21645635 1.00 HRH3 (0.45) HRH3SCN1ASCN2ASCN3AKCNH2
SCHEMBL23513771 0.88 HRH3 (0.37) HRH3SCN1ASCN2ASCN3AKCNH2
SCHEMBL20661567 0.84 HRH3 (0.36) HRH3ALDH1A1
SCHEMBL9607918 0.83 HRH3 (0.45) HRH3SCN1ASCN2ASCN3AKCNH2
SCHEMBL22253759 0.82 HRH3 (0.44) HRH3SCN1ASCN2ASCN3AKCNH2
SCHEMBL30803106 0.80 SMN1; SMN2 (0.41) HRH3KCNH2ALDH1A1KMT2A
SCHEMBL20985252 0.79
SCHEMBL20985243 0.79
SCHEMBL301224 0.79
SCHEMBL22096191 0.79 HRH3 (0.37) HRH3KCNH2FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4327886-A2 PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF Libertas Bio, Inc. (US) 2024-02-28 EP disclosed
EP-3392252-B1 PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF LIBERTAS BIO INC (US) 2023-10-04 EP disclosed
EP-3911318-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION Merck Sharp & Dohme Corp. (US) 2021-11-24 EP disclosed
WO-2020150091-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2020-07-23 WO disclosed
EP-2748166-B1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND USE THEREOF ASANA BIOSCIENCES LLC (US) 2018-07-11 EP disclosed
WO-2017095898-A1 USES OF PYRIMIDO-PYRIMIDAZINONES TO TREAT CANCER ASANA BIOSCIENCES, LLC (US) 2017-06-08 WO disclosed
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER ASANA BIOSCIENCES, LLC (US) 2017-06-08 US disclosed
US-20160257691-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF Libertas Bio, Inc. 2016-09-08 US disclosed
US-9382277-B2 Pyrimido-pyridazinone compounds and methods of use thereof ASANA BIOSCIENCES, LLC (US) 2016-07-05 US disclosed
US-8729079-B2 Pyrimido-pyridazinone compounds and methods of use thereof ENDO PHARMACEUTICALS INC. (US) 2014-05-20 US disclosed
US-20130053346-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF ENDO PHARMACEUTICALS INC (US) 2013-02-28 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 (3 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-20160257691-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS HRH3 866/4885SCN1A 3941/4885SCN2A 4148/4885
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER MKI67, DPYD, TYMP HRH3 2015/4885SCN1A 4324/4885SCN2A 4570/4885
US-20130053346-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS HRH3 866/4885SCN1A 3941/4885SCN2A 4148/4885

“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.