SCHEMBL14739999

SCHEMBL14739999

C[n+]1ccc(NCCCCCCCCCCNc2cc[n+](C)c3ccccc23)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.47
HTR1A P08908 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45

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
Iodide SCHEMBL30557795 0.98 HTR1A (0.47) KCNA3HTR1AADRA1DADRA1AADRA1B
Water SCHEMBL22390081 0.97 HTR1A (0.46) KCNA3HTR1AADRA1DADRA1AADRA1B
SCHEMBL17327866 0.77 RAB9A (0.47)
Bromide SCHEMBL18334837 0.74 CHKA (0.58)
SCHEMBL20856949 0.73 RAB9A (0.39) KCNA3
Water SCHEMBL22390082 0.73 RAB9A (0.36)
SCHEMBL17327859 0.71 IDO1 (0.49)
SCHEMBL2332870 0.70 RAB9A (0.45)
SCHEMBL2335846 0.70 RAB9A (0.45)
Iodide SCHEMBL9593667 0.70 IDO1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230272449-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY WASHINGTON UNIVERSITY 2023-08-31 US disclosed
US-20200283820-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY WASHINGTON UNIVERSITY 2020-09-10 US disclosed
US-20190298841-A1 Nucleic Acid Complexes PROCARTA BIOSYSTEMS LTD (GB) 2019-10-03 US disclosed
US-10350299-B2 Nucleic acid complexes PROCARTA BIOSYSTEMS LTD. (GB) 2019-07-16 US disclosed
US-20170340745-A1 NUCLEIC ACID COMPLEXES PROCARTA BIOSYSTEMS LTD. (GB) 2017-11-30 US disclosed
US-9669101-B2 Nucleic acid complexes PROCARTA BIOSYSTEMS LTD (GB) 2017-06-06 US disclosed
US-9550991-B2 Transcription factor decoys PROCARTA BIOSYSTEMS LTD. (GB) 2017-01-24 US disclosed
EP-2552455-B1 TRANSCRIPTION FACTOR DECOYS PROCARTA BIOSYSTEMS LTD (GB) 2016-12-28 EP disclosed
US-20150196652-A1 NUCLEIC ACID COMPLEXES PROCARTA BIOSYSTEMS LTD (GB) 2015-07-16 US disclosed
US-9024005-B2 Nucleic acid complexes PROCARTA BIOSYSTEMS LTD (GB) 2015-05-05 US disclosed
US-20140274800-A1 TRANSCRIPTION FACTOR DECOYS FOR THE TREATMENT AND PREVENTION OF INFECTIONS CAUSED BY BACTERIA INCLUDING CLOSTRIDIUM DIFFICILE PROCARTA BIOSYSTEMS LTD. (GB) 2014-09-18 US disclosed
US-20130252881-A1 Transcription Factor Decoys PROCARTA BIOSYSTEMS LTD. (GB) 2013-09-26 US disclosed
US-20130059775-A1 Nucleic Acid Complexes PROCARTA BIOSYSTEMS LTD (GB) 2013-03-07 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 (7 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-20230272449-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY NADK, NAPRT, TIPARP KCNA3 4670/4885HTR1A 4697/4885ADRA1D 4776/4885
US-10350299-B2 Nucleic acid complexes ZFR, SUB1, RELA KCNA3 2785/4885HTR1A 3783/4885ADRA1D 4004/4885
US-20170340745-A1 NUCLEIC ACID COMPLEXES ZFR, SUB1, RELA KCNA3 2785/4885HTR1A 3783/4885ADRA1D 4004/4885
US-20200283820-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY NADK, NAPRT, TIPARP KCNA3 4670/4885HTR1A 4697/4885ADRA1D 4776/4885
US-20190298841-A1 Nucleic Acid Complexes ZFR, SUB1, RELA KCNA3 2785/4885HTR1A 3783/4885ADRA1D 4004/4885
US-20150196652-A1 NUCLEIC ACID COMPLEXES ZFR, SUB1, RELA KCNA3 2785/4885HTR1A 3783/4885ADRA1D 4004/4885
US-20130059775-A1 Nucleic Acid Complexes ZFR, SUB1, RELA KCNA3 2785/4885HTR1A 3783/4885ADRA1D 4004/4885

“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.