SCHEMBL12595880

SCHEMBL12595880

CCC1CCCN(c2ccc(-c3ccc(=O)[nH]n3)cc2C)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 15/20 0.44
▸ KCNH2 Q12809 3/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36

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
SCHEMBL12595850 0.85 HRH3 (0.43) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL12595816 0.83 LMNA (0.51) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL12595747 0.82 LMNA (0.50) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL12595833 0.82 LMNA (0.50) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL12595859 0.81 HRH3 (0.41) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL12595865 0.81 RAD52 (0.44) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL12596072 0.80 LMNA (0.46) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL12595767 0.79 LMNA (0.47) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL12595902 0.79 LMNA (0.42) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL12595917 0.79 LMNA (0.42) HRH3KCNH2CHRM2SLC6A2ADRA1A

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
US-9212146-B2 Substituted pyridazinones for the treatment of tumors SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-12-15 — — US disclosed
US-20130281426-A1 PYRIDAZINONES, THE PREPARATION METHOD AND THE USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES 2013-10-24 — — US disclosed
US-8501731-B2 Derivatives of 6[3-(trifluoromethyl)phenyl]pyridazin-3(2H)-one having antitumor activity SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2013-08-06 — — US disclosed
US-20110112061-A1 PYRIDAZINONES, THE PREPARATION AND THE USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2011-05-12 — — 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 (2 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-20110112061-A1 PYRIDAZINONES, THE PREPARATION AND THE USE THEREOF PDXK, PNPO, HCCS HRH3 1737/4885KCNH2 2321/4885CHRM2 2114/4885
US-20130281426-A1 PYRIDAZINONES, THE PREPARATION METHOD AND THE USE THEREOF CYP3A5, PDXK, HCCS HRH3 1562/4885KCNH2 2316/4885CHRM2 2359/4885

“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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