SCHEMBL5539704

SCHEMBL5539704

Clc1ccc(CCNc2cc[c]cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.50
TAAR1 Q96RJ0 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
CNR1 P21554 2/20 0.44
IDO1 P14902 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX12 P18054 1/20 0.42
FFAR1 O14842 1/20 0.41
CHRM1 P11229 1/20 0.41
HTR2A P28223 1/20 0.41
MCHR1 Q99705 1/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL3246568 0.93 GPR84 (0.46) GPR84TAAR1L3MBTL1CNR1IDO1
SCHEMBL5537278 0.89 CHRM1 (0.52) GPR84TAAR1L3MBTL1CNR1IDO1
SCHEMBL5539661 0.84 CNR1 (0.43) GPR84TAAR1L3MBTL1CNR1IDO1
SCHEMBL5542245 0.83 TAAR1 (0.52) GPR84TAAR1L3MBTL1CNR1LMNA
SCHEMBL5543628 0.82 CHRM1 (0.52) GPR84TAAR1CNR1LMNAMAPT
SCHEMBL5548284 0.81 MAPT (0.60) GPR84TAAR1L3MBTL1CNR1LMNA
SCHEMBL5536247 0.81 L3MBTL1 (0.46) GPR84TAAR1L3MBTL1LMNAMAPT
SCHEMBL5543154 0.81 TAAR1 (0.50) GPR84TAAR1L3MBTL1CNR1MAPT
SCHEMBL5542122 0.81 L3MBTL1 (0.46) TAAR1L3MBTL1LMNAMAPTMEN1
SCHEMBL2309185 0.81 L3MBTL1 (0.70) GPR84TAAR1L3MBTL1CNR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11696937-B2 Glycopeptide compounds having activity of resisting drug-resistant bacteria, and preparation method and application thereof SHANGHAI LAIYI CENTER FOR BIOPHARMACEUTICAL R&D CO., LTD. (CN) 2023-07-11 US claimed
WO-2019170046-A1 GLYCOPEPTIDE COMPOUNDS HAVING ACTIVITY OF RESISTING DRUG-RESISTANT BACTERIA, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海来益生物药物研究开发中心有限责任公司 2019-09-12 WO claimed
WO-2019170046-A1 GLYCOPEPTIDE COMPOUNDS HAVING ACTIVITY OF RESISTING DRUG-RESISTANT BACTERIA, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海来益生物药物研究开发中心有限责任公司 2019-09-12 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-4751327-A Photoconductive imaging members with unsymmetrical squaraine compounds XEROX CORPORATION (US) 1988-06-14 US disclosed
US-4624904-A Photoconductive imaging members with unsymmetrical squaraine compounds containing an hydroxyl group XEROX CORPORATION (US) 1986-11-25 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 GPR84 318/4885TAAR1 364/4885L3MBTL1 1931/4885
US-11696937-B2 Glycopeptide compounds having activity of resisting drug-resistant bacteria, and preparation method and application thereof VIP, CUTA, MGAM GPR84 604/4885TAAR1 3759/4885L3MBTL1 1749/4885

“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.