SCHEMBL1036893

SCHEMBL1036893

O=[C]CC1(c2ccccc2)CNCCO1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
OPRM1 P35372 1/20 0.36
SLC6A2 P23975 13/20 0.34
SLC6A4 P31645 13/20 0.34
SLC6A3 Q01959 7/20 0.34
EGFR P00533 1/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL11715846 0.80 HTR2A (0.41) HTR2AOPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL9523728 0.78 SLC6A2 (0.40) HTR2AOPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL27825135 0.78 TSHR (0.39) HTR2AOPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL7147295 0.77 HTR2A (0.39) HTR2ASLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL7008386 0.75 OPRM1 (0.38) HTR2AOPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL977558 0.70 HTR2A (0.47) HTR2AOPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL3458741 0.67 HTR2A (0.48) HTR2AOPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL1334863 0.67 HTR2A (0.44) HTR2AOPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL27794398 0.67 HTR2A (0.44) HTR2AOPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL136222 0.67 HTR2A (0.44) HTR2AOPRM1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115165-B2 Tetracyclic anthraquinone antibiotic derivatives with high activity, process for preparing the same and use thereof TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2015-08-25 US disclosed
US-20110224161-A1 TETRACYCLIC ANTHRAQUINONE ANTIBIOTIC DERIVATIVES WITH HIGH ACTIVITY, PROCESS FOR PREPARING THE SAME AND USE THEREOF TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2011-09-15 US disclosed
EP-2277884-A1 ANTHRACYCLINE ANTIBIOTIC DERIVATIVES WITH HIGH ACTIVITY, PREPARATION METHODS AND USES THEREOF Tianjin Hemay Bio-Tech Co., Ltd. (CN) 2011-01-26 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 (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-20110224161-A1 TETRACYCLIC ANTHRAQUINONE ANTIBIOTIC DERIVATIVES WITH HIGH ACTIVITY, PROCESS FOR PREPARING THE SAME AND USE THEREOF DHPS, TBCA, ANTXR2 HTR2A 4792/4885OPRM1 4740/4885SLC6A2 4703/4885

“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.