SCHEMBL4247675

SCHEMBL4247675

COc1cc2c(c(N3CCN(C)CC3)c1)O[C@@H](C(=O)Nc1ccc(N3CCOCC3)cc1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 7/20 1.00
▸ KCNH2 Q12809 1/20 1.00
▸ MAPT P10636 4/20 0.48
▸ RAD52 P43351 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ HTR1A P08908 1/20 0.44
▸ HTR1D P28221 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MTOR P42345 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
SCHEMBL4247047 1.00 HTR1B (1.00) HTR1BKCNH2MAPTRAD52NFKB1
SCHEMBL4246330 0.96 HTR1B (0.93) HTR1BKCNH2MAPTNFKB1NFKB2
SCHEMBL4575764 0.92 HTR1B (0.86) HTR1BKCNH2MAPTNFKB1NFKB2
SCHEMBL4246693 0.92 HTR1B (0.85) HTR1BKCNH2MAPTNFKB1NFKB2
SCHEMBL4246219 0.92 HTR1B (0.84) HTR1BKCNH2MAPTNFKB1NFKB2
SCHEMBL4248981 0.92 HTR1B (0.84) HTR1BKCNH2MAPTNFKB1NFKB2
SCHEMBL4250244 0.91 HTR1B (0.84) HTR1BKCNH2MAPTNFKB1NFKB2
SCHEMBL4246989 0.91 HTR1B (0.84) HTR1BKCNH2MAPTNFKB1NFKB2
SCHEMBL4250238 0.91 HTR1B (0.83) HTR1BKCNH2MAPTRAD52NFKB1
SCHEMBL4246714 0.91 HTR1B (0.83) HTR1BKCNH2MAPTNFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170851-A1 Chroman Compounds BERNSTEIN PETER 2009-07-02 — — US claimed
US-20090170851-A1 Chroman Compounds BERNSTEIN PETER 2009-07-02 — — US disclosed
US-20070185107-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-08-09 — — 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 (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.

Send feedback