SCHEMBL4246714

SCHEMBL4246714

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

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 5/20 0.83
▸ KCNH2 Q12809 1/20 0.83
▸ MAPT P10636 6/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ GAA P10253 2/20 0.49
▸ HTT P42858 2/20 0.46
▸ TSHR P16473 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ RAB9A P51151 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.43

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
SCHEMBL4246330 0.94 HTR1B (0.93) HTR1BKCNH2MAPTALDH1A1GAA
SCHEMBL4252027 0.93 HTR1B (0.81) HTR1BKCNH2MAPTALDH1A1GAA
SCHEMBL4247047 0.91 HTR1B (1.00) HTR1BKCNH2MAPTALDH1A1NFKB1
SCHEMBL4247675 0.91 HTR1B (1.00) HTR1BKCNH2MAPTALDH1A1NFKB1
SCHEMBL5311017 0.89 HTR1B (0.66) HTR1BKCNH2MAPTALDH1A1GAA
SCHEMBL4597945 0.89 HTR1B (0.66) HTR1BKCNH2MAPTALDH1A1GAA
SCHEMBL4250244 0.89 HTR1B (0.84) HTR1BKCNH2MAPTHTTNFKB1
SCHEMBL4575917 0.87 HTR1B (0.80) HTR1BKCNH2MAPTALDH1A1GAA
SCHEMBL4246743 0.87 HTR1B (0.80) HTR1BKCNH2MAPTALDH1A1GAA
SCHEMBL4246216 0.87 HTR1B (0.80) HTR1BKCNH2MAPTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945624-A1 CHROMAN COMPOUNDS AS 5-HT1B ANTAGONISTS Astra Zeneca AB (SE) 2008-07-23 — — EP claimed
US-20070185107-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-08-09 — — US claimed
WO-2007053095-A1 CHROMAN COMPOUNDS AS 5-HT1B ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-10 — — WO claimed
US-20090170851-A1 Chroman Compounds BERNSTEIN PETER 2009-07-02 — — US disclosed
US-20090170851-A1 Chroman Compounds BERNSTEIN PETER 2009-07-02 — — US disclosed
US-20090170851-A1 Chroman Compounds BERNSTEIN PETER 2009-07-02 — — US disclosed
EP-1945624-A1 CHROMAN COMPOUNDS AS 5-HT1B ANTAGONISTS Astra Zeneca AB (SE) 2008-07-23 — — EP disclosed
US-20070185107-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-08-09 — — US disclosed
US-20070185107-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-08-09 — — US disclosed
US-20070185107-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-08-09 — — US disclosed
WO-2007053095-A1 CHROMAN COMPOUNDS AS 5-HT1B ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-10 — — WO disclosed
WO-2007053095-A1 CHROMAN COMPOUNDS AS 5-HT1B ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-10 — — 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 (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-20090170851-A1 Chroman Compounds CYP3A43, CYP2C9, CYP2C8 HTR1B 611/4885KCNH2 1085/4885MAPT 3013/4885
US-20070185107-A1 Chroman compounds CYP3A43, CYP2C9, CYP2C8 HTR1B 611/4885KCNH2 1085/4885MAPT 3013/4885

“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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