SCHEMBL1036468

SCHEMBL1036468

O=[C]CCN1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.48
POLB P06746 2/20 0.46
MAPT P10636 4/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT8 Q9NR22 1/20 0.37

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
SCHEMBL5807815 1.00 HRH3 (0.48) HRH3POLBMAPTALDH1A1L3MBTL1
SCHEMBL678884 0.97
SCHEMBL4087305 0.92
SCHEMBL4813915 0.85 HRH3 (0.56) HRH3POLBMAPTALDH1A1L3MBTL1
SCHEMBL7381950 0.83 HRH3 (0.61) HRH3POLBMAPTALDH1A1L3MBTL1
SCHEMBL678405 0.82 HRH3 (0.52) HRH3POLBMAPTALDH1A1L3MBTL1
SCHEMBL7281275 0.81 HRH3 (0.65) HRH3POLBMAPTALDH1A1CYP1A2
SCHEMBL10695726 0.81 HRH3 (0.65) HRH3POLBMAPTALDH1A1CYP1A2
SCHEMBL7382943 0.81 HRH3 (0.65) HRH3POLBMAPTALDH1A1CYP1A2
SCHEMBL7282473 0.81 HRH3 (0.65) HRH3POLBMAPTALDH1A1CYP1A2

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 126 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968145-A1 MODIFIED DOCETAXEL LIPOSOME FORMULATIONS Mallinckrodt LLC (US) 2016-01-20 EP claimed
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2014-10-16 US claimed
WO-2014160392-A1 MODIFIED DOCETAXEL LIPOSOME FORMULATIONS MALLINCKRODT LLC (US) 2014-10-02 WO claimed
US-20140271822-A1 MODIFIED DOCETAXEL LIPOSOME FORMULATIONS MALLINCKRODT LLC (US) 2014-09-18 US claimed
US-7932264-B2 Sinomenine derivatives and preparation and uses thereof NATUREMED GROUP CORPORATION (US) 2011-04-26 US claimed
EP-0827507-B1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM CA LTD (CA) 1999-06-16 EP claimed
EP-0827507-A1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1998-03-11 EP claimed
WO-1996031527-A1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD./BOEHRINGER INGELHEIM (CANADA) LTÉE. (CA) 1996-10-10 WO claimed
US-5545640-A VIRICIDES, HIV; AIDS BIO-MEGA/BOEHRINGER INGELEHEIM RESEARCH INC. (CA) 1996-08-13 US claimed
US-10584128-B2 Bicyclic dihydropyrimidine-carboxamide derivatives as Rho-Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2020-03-10 US disclosed
EP-3558999-A1 BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO-KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2019-10-30 EP disclosed
EP-3311813-B1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE CAYMAN LTD (KY) 2019-08-07 EP disclosed
US-10053467-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2018-08-21 US disclosed
WO-2018115383-A1 BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2018-06-28 WO disclosed
US-4246284-A Aminosulfonyl-substituted aryloxyalkyl diketones STERLING DRUG INC. (US) 1981-01-20 US disclosed
US-4198436-A Dialkylamino- and dialkylaminoalkoxy-substituted aryloxyalkyl diketones STERLING DRUG INC. (US) 1980-04-15 US disclosed
US-4182727-A 4-[6-(4-Cyanophenoxy)hexyl]-3,5-heptanedione STERLING DRUG INC. (US) 1980-01-08 US disclosed
US-4182761-A Acyloxy-substituted aryloxyalkyl diketones STERLING DRUG INC. (US) 1980-01-08 US disclosed
US-4171376-A Aryloxyalkyl keto-esters STERLING DRUG INC. (US) 1979-10-16 US disclosed
US-4133959-A Aryloxyalkyl diketones STERLING DRUG INC. (US) 1979-01-09 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 (4 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-10053467-B2 Therapeutic isoxazole compounds MAOB, MAOA, XDH HRH3 926/4885POLB 941/4885MAPT 935/4885
US-20140271822-A1 MODIFIED DOCETAXEL LIPOSOME FORMULATIONS SGMS2, PHOSPHO1, SGMS1 HRH3 2658/4885POLB 3983/4885MAPT 2107/4885
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO MRGPRX1, MRGPRX2, AGTR1 HRH3 1216/4885POLB 4595/4885MAPT 2813/4885
US-10584128-B2 Bicyclic dihydropyrimidine-carboxamide derivatives as Rho-Kinase inhibitors ROCK1, ROCK2, CIT HRH3 668/4885POLB 1612/4885MAPT 2467/4885

“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.