SCHEMBL4819614

SCHEMBL4819614

CN1CC[C]c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
DRD3 P35462 2/20 0.32
DRD2 P14416 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
CDK4 P11802 1/20 0.31
ALOX15 P16050 1/20 0.31
CCND1 P24385 1/20 0.31
KMT2A Q03164 1/20 0.31
CNR2 P34972 1/20 0.31
TP53 P04637 1/20 0.30
TNKS O95271 1/20 0.30
PARP1 P09874 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
MAOA P21397 1/20 0.30

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
SCHEMBL23867396 0.79 TNKS (0.34) ADRA2CALDH1A1GAAMEN1KMT2A
SCHEMBL6003181 0.72 KDM4E (0.42) ALDH1A1KDM4EDRD3DRD2MEN1
SCHEMBL11752866 0.72 SIGMAR1 (0.41) ADRA2CKDM4EGAAMAPTMEN1
SCHEMBL29941513 0.71 CNR2 (0.46) ADRA2CALDH1A1KDM4EGAAMAPT
SCHEMBL8276420 0.71 CNR2 (0.46) ADRA2CALDH1A1KDM4EGAAMAPT
SCHEMBL16707769 0.67 TP53 (0.42) ADRA2CALDH1A1KDM4EGAAMAPT
SCHEMBL11883383 0.67 ADRA1D (0.34) ALDH1A1KDM4EGAAMEN1USP2
SCHEMBL1162920 0.66
SCHEMBL14315861 0.64 BRD4 (0.38) ADRA2CALDH1A1KDM4EGAAMAPT
SCHEMBL142091 0.62 ALDH1A1 (0.59) ADRA2CALDH1A1KDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5294612-A Hypotensive agents and cardiovascular disorders STERLING WINTHROP INC. (US) 1994-03-15 US claimed
US-7365174-B2 Azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-29 US disclosed
US-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-22 US disclosed
EP-1661904-A1 NOVEL AZALIDE AND AZALACTAM DERIVATIVES AND PROCESS FOR THE PRODUCTION OF THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2006-05-31 EP disclosed
US-4072754-A ANTICHOLESTEROL MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1978-02-07 US disclosed
US-4072754-A ANTICHOLESTEROL MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1978-02-07 US disclosed
US-4051170-A Diphenoxyacetic acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 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 (1 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-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same BCL6, NR4A1, NR4A2 ADRA2C 2262/4885ALDH1A1 1363/4885KDM4E 1300/4885

“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.