SCHEMBL3755356

SCHEMBL3755356

c1ccc2c(c1)[C@H]1CC[C@H]2c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL482601 1.00 HTR2A (0.41) HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL4952572 1.00 HTR2A (0.41) HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL31236391 1.00 HTR2A (0.41) HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL11114224 0.87 HTR2A (0.39) HTR2A
SCHEMBL11253742 0.79 HTR2A (0.52) HTR2A
SCHEMBL11740479 0.78 HTR2A (0.42) HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL8889940 0.76 HTR1A (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL11738636 0.76 MEN1 (0.45) HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL29789885 0.76 SLC6A2 (0.37) HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL29394336 0.76 SLC6A2 (0.37) HTR2ASLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691998-B2 Catalysts containing N-heterocyclic carbenes for enantioselective synthesis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-04-08 US claimed
US-20130190508-A1 CATALYSTS CONTAINING N-HETEROCYCLIC CARBENES FOR ENANTIOSELECTIVE SYNTHESIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-07-25 US claimed
US-20100292465-A1 CATALYSTS CONTAINING N-HETEROCYCLIC CARBENES FOR ENANTIOSELECTIVE SYNTHESIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-11-18 US claimed
WO-2008101197-A1 CATALYSTS CONTAINING N-HETEROCYCLIC CARBENES FOR ENANTIOSELECTIVE SYNTHESIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2008-08-21 WO claimed
US-11912999-B2 Aptamer conjugates with N-heterocyclic carbene metal complexes for targeted drug delivery UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2024-02-27 US disclosed
US-8691998-B2 Catalysts containing N-heterocyclic carbenes for enantioselective synthesis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-04-08 US disclosed
US-20130190508-A1 CATALYSTS CONTAINING N-HETEROCYCLIC CARBENES FOR ENANTIOSELECTIVE SYNTHESIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-07-25 US disclosed
US-8455661-B2 Catalysts containing N-heterocyclic carbenes for enantioselective synthesis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-06-04 US disclosed
US-20100292465-A1 CATALYSTS CONTAINING N-HETEROCYCLIC CARBENES FOR ENANTIOSELECTIVE SYNTHESIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-11-18 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 (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-11912999-B2 Aptamer conjugates with N-heterocyclic carbene metal complexes for targeted drug delivery NTPCR, NDC1, PAICS HTR2A 1565/4885SLC6A2 1419/4885SLC6A4 1624/4885
US-20100292465-A1 CATALYSTS CONTAINING N-HETEROCYCLIC CARBENES FOR ENANTIOSELECTIVE SYNTHESIS NDC1, NBAS, NIT2 HTR2A 418/4885SLC6A2 2695/4885SLC6A4 2537/4885

“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.