SCHEMBL6444283

SCHEMBL6444283

CCN1CCC(CCl)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
HRH3 Q9Y5N1 3/20 0.41
EPHX1 P07099 2/20 0.38
KMT2A Q03164 1/20 0.36
EPHX2 P34913 1/20 0.36
HSD11B1 P28845 2/20 0.34
ALDH1A1 P00352 1/20 0.33
HTR4 Q13639 1/20 0.32

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
SCHEMBL6445222 0.81 HRH3 (0.44) SMN1; SMN2HRH3EPHX1KMT2AEPHX2
SCHEMBL6444126 0.81 DRD2 (0.47) EPHX1EPHX2
SCHEMBL22793920 0.79 SMN1; SMN2 (0.46) SMN1; SMN2HRH3EPHX1KMT2AEPHX2
SCHEMBL178287 0.79 SMN1; SMN2 (0.46) SMN1; SMN2HRH3EPHX1KMT2AEPHX2
SCHEMBL31273888 0.79 HRH3 (0.49) SMN1; SMN2HRH3EPHX1EPHX2HSD11B1
SCHEMBL27414943 0.78 GNAO1 (0.49) HRH3EPHX1EPHX2
Fluoride SCHEMBL29252276 0.77 SMN1; SMN2 (0.45) SMN1; SMN2HRH3EPHX1KMT2AEPHX2
SCHEMBL22520700 0.75 ACHE (0.50) SMN1; SMN2HRH3HSD11B1ALDH1A1
SCHEMBL2439300 0.75 SMN1; SMN2 (0.43) SMN1; SMN2HRH3EPHX1KMT2AEPHX2
SCHEMBL21532979 0.75 SMN1; SMN2 (0.43) SMN1; SMN2HRH3EPHX1KMT2AEPHX2

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
CN-109641908-B Five-membered heterocyclic [3,4-d ] pyridazinone compound, preparation method thereof, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2021-11-19 CN disclosed
US-20190135818-A1 5-MEMBERED HETEROCYCLE FUSED WITH [3,4-D] PYRIDAZINONE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2019-05-09 US disclosed
EP-3470415-A1 5-MEMBERED HETEROCYCLE FUSED WITH [3,4-D]PYRIDAZINONE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2019-04-17 EP disclosed
CN-109641908-A Five-ring heterocycles simultaneously [3,4-d] pyridazinone compound, preparation method, pharmaceutical composition and its application 中国科学院上海药物研究所 2019-04-16 CN disclosed
CN-107417687-A Five-ring heterocycles simultaneously [3,4 d] pyridazinone compound, its preparation method, pharmaceutical composition and its application 中国科学院上海药物研究所 2017-12-01 CN disclosed
US-6858679-B2 Compositions providing improved functionalization of terminal anions and processes for improved functionalization of terminal anions FMC CORPORATION (US) 2005-02-22 US disclosed
US-20030153693-A1 Compositions providing improved functionalization of terminal anions and processes for improved functionalization of terminal anions QUIRK RODERIC PAUL (US) 2003-08-14 US disclosed
US-6605564-B1 Anionic polymerization initiators and salt additives selected from sodium chloride, sodium iodide, potassium chloride, potassium t-butoxide, for increasing the efficiency of reactions between living polymer anions and electrophiles FMC CORPORATION 2003-08-12 US disclosed
US-6545103-B2 Living polymers FMC CORPORATION 2003-04-08 US disclosed
US-20020010082-A1 Compositions providing improved functionalization of terminal anions and processes for improved functionalization of terminal anions FMC CORPORATION 2002-01-24 US disclosed
US-6184338-B1 USEFUL IN THE PREPARATION OF TERTIARY AMINE CONTAINING POLYMERS, INCLUDING LINEAR, HOMOTELECHELIC, HETEROTELECHELIC AND RADIAL POLYMERS. FMC CORPORATION 2001-02-06 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 (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-20190135818-A1 5-MEMBERED HETEROCYCLE FUSED WITH [3,4-D] PYRIDAZINONE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF FGFR1, FGFR3, FGFR4 SMN1; SMN2 2313/4885HRH3 1614/4885EPHX1 1374/4885

“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.