SCHEMBL6802801

SCHEMBL6802801

Oc1ccc(CNCC2(c3ccsc3)CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 5/20 0.43
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 3/20 0.34
SLC6A2 P23975 2/20 0.34
ADRB2 P07550 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HTT P42858 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CACNA1G O43497 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
SCHEMBL6808948 0.74 ALDH1A1 (0.43) ESR1ESR2SLC6A4SLC6A3SLC6A2
SCHEMBL22978798 0.72 KCNA3 (0.44) KCNA3SLC6A4SLC6A3SLC6A2
SCHEMBL6807682 0.72 SLC6A4 (0.41) SLC6A4SLC6A3SLC6A2L3MBTL1ALDH1A1
SCHEMBL6802473 0.70 OPRM1 (0.47) ADRB2HTTALDH1A1
SCHEMBL6803510 0.70 ALDH1A1 (0.37) ESR1ESR2HDAC8HDAC6SLC6A4
SCHEMBL22996026 0.70 KCNA3 (0.45) KCNA3SLC6A4SLC6A2
SCHEMBL5314616 0.69 ESR1 (0.69) KCNA3ESR1ESR2LMNAL3MBTL1
SCHEMBL16291586 0.69 SLC6A2 (0.54) SLC6A4SLC6A3SLC6A2
SCHEMBL11230906 0.68 ADRB2 (0.44) ESR1ESR2HDAC6ADRB2CA1
SCHEMBL6804377 0.68 LTA4H (0.33) ADRB2LMNAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063643-A1 Bombesin antagonists PFIZER INC. 2004-04-01 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-20040063643-A1 Bombesin antagonists BRS3, NPSR1, GNRHR KCNA3 531/4885ESR1 178/4885ESR2 375/4885

“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.