SCHEMBL5368666

SCHEMBL5368666

NCCOB(Oc1cccc2ccccc12)Oc1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 7/20 0.62
NR2E1 Q9Y466 1/20 0.43
KCNA3 P22001 1/20 0.42
HTR1D P28221 1/20 0.41
SLC6A4 P31645 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TRPM2 O94759 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
HRH1 P35367 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
SCHEMBL1555348 0.88 HTR1B (0.49) HTR1BNR2E1KCNA3HTR1DSLC6A4
SCHEMBL6536528 0.80 HTR1B (0.49) HTR1BKCNA3HTR1DSLC6A4HRH1
SCHEMBL3840461 0.80 ALDH1A1 (0.48) HTR1BNR2E1KCNA3HTR1DSLC6A4
Butylamine SCHEMBL1146873 0.78 HTR1B (0.57) HTR1BNR2E1HTR1DSLC6A4HRH1
SCHEMBL30825865 0.77 HTR1B (1.00) HTR1BNR2E1KCNA3HTR1DSLC6A4
SCHEMBL9523932 0.77 HTR1B (1.00) HTR1BNR2E1KCNA3HTR1DSLC6A4
SCHEMBL5373824 0.76 KDM4E (0.43) HTR1BKDM4EMEN1KMT2AALDH1A1
SCHEMBL2398660 0.72 HTR1B (0.51) HTR1BNR2E1KCNA3HTR1DSLC6A4
SCHEMBL7206887 0.72 HTR1B (1.00) HTR1BNR2E1KCNA3HTR1DSLC6A4
SCHEMBL1554330 0.71 AGXT (0.50) KDM4EMEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259842-A1 Intracellular calcuim concentration increase inhibitors MIKOSHIBA, KATSUHIKO (JP) 2004-12-23 US claimed
EP-1444981-A1 INTRACELLULAR CALCIUM CONCENTRATION INCREASE INHIBITORS Mikoshiba, Katsuhiko (JP) 2004-08-11 EP claimed
US-7217701-B2 Intracellular calcium concentration increase inhibitors KATSUHIKO MIKOSHIBA (JP) 2007-05-15 US disclosed
US-20040259842-A1 Intracellular calcuim concentration increase inhibitors MIKOSHIBA, KATSUHIKO (JP) 2004-12-23 US disclosed
EP-1444981-A1 INTRACELLULAR CALCIUM CONCENTRATION INCREASE INHIBITORS Mikoshiba, Katsuhiko (JP) 2004-08-11 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-20040259842-A1 Intracellular calcuim concentration increase inhibitors CAB39, BPGM, ORAI1 HTR1B 1892/4885NR2E1 2843/4885KCNA3 3523/4885

“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.