SCHEMBL223298

SCHEMBL223298

Cc1cccc(OCCCBr)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.58
DRD4 P21917 2/20 0.58
DRD3 P35462 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HSD17B10 Q99714 2/20 0.53
LMNA P02545 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
ACHE P22303 1/20 0.50
F2 P00734 1/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL30674602 1.00 DRD2 (0.58) DRD2DRD4DRD3L3MBTL1KDM4E
SCHEMBL1171694 0.94 DRD2 (0.57) DRD2DRD4DRD3L3MBTL1KDM4E
SCHEMBL15922784 0.93 DRD2 (0.55) DRD2DRD4DRD3L3MBTL1KDM4E
SCHEMBL4743318 0.93 DRD2 (0.55) DRD2DRD4DRD3L3MBTL1KDM4E
SCHEMBL1772856 0.93 DRD2 (0.55) DRD2DRD4DRD3L3MBTL1KDM4E
SCHEMBL3160942 0.90 DRD2 (0.56) DRD2DRD4DRD3L3MBTL1KDM4E
SCHEMBL9020787 0.88 ALDH1A1 (0.56) DRD2DRD4DRD3L3MBTL1KDM4E
SCHEMBL3814692 0.88 DRD2 (0.51) DRD2DRD4DRD3L3MBTL1KDM4E
SCHEMBL11674802 0.88 DRD2 (0.66) DRD2DRD4DRD3L3MBTL1KDM4E
SCHEMBL10798638 0.86 DRD2 (0.64) DRD2DRD4DRD3L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117105872-A Benzodiazepine compound and preparation method and application thereof 徐州医科大学 2023-11-24 CN claimed
CN-117105872-A Benzodiazepine compound and preparation method and application thereof 徐州医科大学 2023-11-24 CN disclosed
CN-108368194-B Method for producing (meth) acryloyl group-terminated polyisobutylene polymer 株式会社钟化 2021-03-19 CN disclosed
US-10604598-B2 Method of producing (meth)acryloyl-terminated polyisobutylene polymer KANEKA CORPORATION (JP) 2020-03-31 US disclosed
US-20180362676-A1 METHOD OF PRODUCING (METH)ACRYLOYL-TERMINATED POLYISOBUTYLENE POLYMER KANEKA CORPORATION (JP) 2018-12-20 US disclosed
EP-3388454-A1 METHOD OF PRODUCING (METH)ACRYLOYL-TERMINATED POLYISOBUTYLENE POLYMER Kaneka Corporation (JP) 2018-10-17 EP disclosed
EP-2590929-A1 ARYLOXY-ALKYLENE SUBSTITUTED HYDROXYPHENYL HEXYNOIC ACIDS, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2013-05-15 EP disclosed
WO-2012010413-A1 ARYLOXY-ALKYLENE SUBSTITUTED HYDROXYPHENYL HEXYNOIC ACIDS, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2012-01-26 WO disclosed
US-20120004166-A1 ARYLOXYALKYLENE-SUBSTITUTED HYDROXYPHENYLHEXYNOIC ACIDS, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT SANOFI (FR) 2012-01-05 US disclosed
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
US-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060247225-A1 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-11-02 US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
EP-1590325-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2005-11-02 EP disclosed
WO-2004067510-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-08-12 WO disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP disclosed
US-4407936-A 5-PYRAZOLONE MAGENTA COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1983-10-04 US disclosed
US-4101670-A THIOLCARBAMATES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1978-07-18 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-20070010511-A1 Organic compounds REN, ACE, ACE2 DRD2 425/4885DRD4 532/4885DRD3 615/4885
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA DRD2 621/4885DRD4 962/4885DRD3 970/4885
US-20120004166-A1 ARYLOXYALKYLENE-SUBSTITUTED HYDROXYPHENYLHEXYNOIC ACIDS, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT HCAR1, HCAR3, CYP2C9 DRD2 1166/4885DRD4 289/4885DRD3 868/4885
US-20060247225-A1 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 DRD2 338/4885DRD4 763/4885DRD3 530/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA DRD2 747/4885DRD4 932/4885DRD3 810/4885

“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.