SCHEMBL2544909

SCHEMBL2544909

c1ccc(CN(Cc2ccccc2)C2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 6/20 0.52
KDM4E B2RXH2 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
YTHDC1 Q96MU7 1/20 0.43
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
LMNA P02545 1/20 0.41
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 2/20 0.39
GRIN2B Q13224 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
CCR5 P51681 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL2596501 1.00 C5AR1 (0.52) C5AR1KDM4EATMNPSR1TDP1
SCHEMBL786060 0.84 C5AR1 (0.50) C5AR1KDM4EATMNPSR1TDP1
SCHEMBL22273283 0.83 KDM4E (0.43) C5AR1KDM4EATMNPSR1TDP1
SCHEMBL1543208 0.82 KDM4E (0.47) C5AR1KDM4EATMNPSR1TDP1
Oxalic Acid SCHEMBL7908190 0.79 C5AR1 (0.54) C5AR1LMNAGRIN2BTSHR
SCHEMBL3376962 0.78 YTHDC1 (0.58) KDM4EATMNPSR1TDP1YTHDC1
SCHEMBL21595356 0.78 KDM4E (0.44) C5AR1KDM4EATMNPSR1TDP1
SCHEMBL21595355 0.78 KDM4E (0.44) C5AR1KDM4EATMNPSR1TDP1
SCHEMBL5517424 0.78 KDM4E (0.45) C5AR1KDM4EATMNPSR1TDP1
SCHEMBL1435742 0.78 KDM4E (0.48) KDM4EATMNPSR1TDP1YTHDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12011490-B2 Dental photocurable composition excellent in operability and storage stability SHOFU INC. (JP) 2024-06-18 US disclosed
US-20220401312-A1 DENTAL PHOTOCURABLE COMPOSITION EXCELLENT IN OPERABILITY AND STORAGE STABILITY SHOFU INC. (JP) 2022-12-22 US disclosed
EP-4062895-A1 DENTAL PHOTOCURABLE COMPOSITION EXCELLENT IN OPERABILITY AND STORAGE STABILITY Shofu Inc. (JP) 2022-09-28 EP disclosed
US-20220287918-A1 DENTAL ADHESIVE COMPOSITION EXCELLENT IN STORAGE STABILITY SHOFU INC. (JP) 2022-09-15 US disclosed
EP-4056163-A1 DENTAL ADHESIVE COMPOSITION EXCELLENT IN STORAGE STABILITY Shofu Inc. (JP) 2022-09-14 EP disclosed
EP-3558964-B1 4-AMINO-2-PYRIDO-BICYCLIC PYRIMIDINES AND USE THEREOF AS TOPOISOMERASE II INHIBITORS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2022-05-04 EP disclosed
EP-3558964-B1 4-AMINO-2-PYRIDO-BICYCLIC PYRIMIDINES AND USE THEREOF AS TOPOISOMERASE II INHIBITORS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2022-05-04 EP disclosed
US-10889560-B2 4-amino-2-pyrido-bicyclic pyrimidines and use thereof as topoisomerase II inhibitors UNIVERSITÀ DEGLI STUDI DI PADOVA (IT) 2021-01-12 US disclosed
US-10889560-B2 4-amino-2-pyrido-bicyclic pyrimidines and use thereof as topoisomerase II inhibitors UNIVERSITÀ DEGLI STUDI DI PADOVA (IT) 2021-01-12 US disclosed
EP-2013175-B9 p38 MAP KINASE INHIBITORS MACROPHAGE PHARMA LTD (GB) 2020-11-11 EP disclosed
US-20110098282-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 US disclosed
US-20090099185-A1 P38 Map Kinase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-04-16 US disclosed
US-20090099185-A1 P38 Map Kinase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-04-16 US disclosed
US-20090099185-A1 P38 Map Kinase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-04-16 US disclosed
WO-2009021944-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
EP-2013175-A1 p38 MAP KINASE INHIBITORS Chroma Therapeutics Limited (GB) 2009-01-14 EP disclosed
WO-2007129040-A1 p38 MAP KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2007-11-15 WO disclosed
WO-2007129040-A1 p38 MAP KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2007-11-15 WO disclosed
US-6211219-B1 DRUGS, ANALGESICS AND AGONISTS MERCK SHARP & DOHME LTD. (GB) 2001-04-03 US disclosed
EP-0638553-A1 Carboxylic acid amides having a terminal carboxylic acid group as aggregation inhibiting drugs Dr. Karl Thomae GmbH (DE) 1995-02-15 EP 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 (6 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-20090099185-A1 P38 Map Kinase Inhibitors MAPK1, CNKSR1, MAPK3 C5AR1 94/4885KDM4E 4343/4885ATM 2157/4885
US-12011490-B2 Dental photocurable composition excellent in operability and storage stability H1-0, CCND1, CCNT1 C5AR1 1140/4885KDM4E 1526/4885ATM 794/4885
US-20220287918-A1 DENTAL ADHESIVE COMPOSITION EXCELLENT IN STORAGE STABILITY ITGA1, ITGB1, CDH1 C5AR1 272/4885KDM4E 2130/4885ATM 938/4885
US-20110098282-A1 NEW COMPOUNDS BRDT, AURKAIP1, ABCG2 C5AR1 3330/4885KDM4E 3077/4885ATM 4112/4885
US-20220401312-A1 DENTAL PHOTOCURABLE COMPOSITION EXCELLENT IN OPERABILITY AND STORAGE STABILITY H1-0, CCND1, CCNT1 C5AR1 1163/4885KDM4E 1344/4885ATM 774/4885
US-10889560-B2 4-amino-2-pyrido-bicyclic pyrimidines and use thereof as topoisomerase II inhibitors TYMP, TYMS, TOP2A C5AR1 2686/4885KDM4E 486/4885ATM 1039/4885

“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.