SCHEMBL5308484

SCHEMBL5308484

COc1cc2c(c(N3CCN(C)CC3)c1)OC(C(=O)Nc1ccc(N3CCCNC3=O)cc1)CC2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 7/20 0.73
▸ KCNH2 Q12809 1/20 0.73
▸ NFKB1 P19838 2/20 0.42
▸ NFKB2 Q00653 2/20 0.42
▸ RELA Q04206 2/20 0.42
▸ KMT2A Q03164 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HTR1A P08908 2/20 0.37
▸ HTR1D P28221 2/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5308151 0.90 HTR1B (0.76) HTR1BKCNH2NFKB1NFKB2RELA
SCHEMBL5308402 0.89 HTR1B (0.57) HTR1BKCNH2NFKB1NFKB2RELA
SCHEMBL5310564 0.88 HTR1B (0.74) HTR1BKCNH2NFKB1NFKB2RELA
SCHEMBL4246330 0.88 HTR1B (0.93) HTR1BKCNH2NFKB1NFKB2RELA
SCHEMBL14529928 0.87 HTR1B (0.54) HTR1BKCNH2NFKB1NFKB2RELA
SCHEMBL5332970 0.86 HTR1B (0.76) HTR1BKCNH2NFKB1NFKB2RELA
SCHEMBL5308523 0.86 HTR1B (0.78) HTR1BKCNH2NFKB1NFKB2RELA
SCHEMBL5308365 0.86 HTR1B (0.75) HTR1BKCNH2NFKB1NFKB2RELA
SCHEMBL5328471 0.85 HTR1B (0.72) HTR1BKCNH2NFKB1NFKB2RELA
SCHEMBL4247675 0.84 HTR1B (1.00) HTR1BKCNH2NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135442-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-06-14 — — US claimed
WO-2007053094-A1 CHROMAN COMPOUNDS AS 5 -HTlB ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-10 — — WO claimed
US-20070135442-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-06-14 — — US disclosed
US-20070135442-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-06-14 — — US disclosed
US-20070135442-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-06-14 — — US disclosed
WO-2007053094-A1 CHROMAN COMPOUNDS AS 5 -HTlB ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-10 — — WO disclosed
WO-2007053094-A1 CHROMAN COMPOUNDS AS 5 -HTlB ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-10 — — WO disclosed
WO-2007038387-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRUSES AND CANCER YALE UNIVERSITY (US) 2007-04-05 — — WO 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-20070135442-A1 Chroman compounds CYP3A43, CYP2C9, CYP2C8 HTR1B 592/4885KCNH2 1018/4885NFKB1 4222/4885

“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.

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