SCHEMBL4246690

SCHEMBL4246690

CCC(=O)N1CCN(c2ccc(NC(=O)C3CCc4cc(F)cc(N5CCN(C)CC5)c4O3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 4/20 0.62
▸ KCNH2 Q12809 1/20 0.62
▸ MAPT P10636 10/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ EPHX2 P34913 2/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MITF O75030 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ HTR1D P28221 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ NPC1 O15118 1/20 0.42

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
SCHEMBL4250243 0.92 HTR1B (0.71) HTR1BKCNH2MAPTKMT2ASMN1; SMN2
SCHEMBL4247598 0.91 HTR1B (0.65) HTR1BKCNH2MAPTKMT2AGAA
SCHEMBL5308451 0.89 HTR1B (0.78) HTR1BKCNH2MAPTKMT2AGAA
SCHEMBL4246743 0.89 HTR1B (0.80) HTR1BKCNH2MAPTKMT2AGAA
SCHEMBL5309015 0.88 HTR1B (0.65) HTR1BKCNH2MAPTKMT2AGAA
SCHEMBL4248665 0.88 HTR1B (0.62) HTR1BKCNH2MAPTKMT2ASMN1; SMN2
SCHEMBL14529770 0.88 HTR1B (0.66) HTR1BKCNH2MAPTKMT2ASMN1; SMN2
SCHEMBL14525309 0.88 HTR1B (0.60) HTR1BKCNH2MAPTKMT2AGAA
SCHEMBL5308292 0.87 HTR1B (0.63) HTR1BKCNH2MAPTKMT2AGAA
SCHEMBL5311017 0.86 HTR1B (0.66) HTR1BKCNH2MAPTKMT2AGAA

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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