SCHEMBL6392255

SCHEMBL6392255

COc1cc(CCNC(=O)Cc2ccc(F)cc2)cc(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.61
EPHX2 P34913 1/20 0.61
TP53 P04637 1/20 0.57
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA12 O43570 2/20 0.55
CA9 Q16790 2/20 0.55
ALDH1A1 P00352 1/20 0.55
FPR2 P25090 1/20 0.54
RAB9A P51151 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL6393365 0.88 MEN1 (0.64) EPHX2FPR2TDP1HPGDLMNA
SCHEMBL147824 0.86 KDM4E (0.62) CA1CA2CA12CA9ALDH1A1
SCHEMBL4023715 0.83 CA1 (0.67) CA1CA2CA12CA9ALDH1A1
SCHEMBL6376510 0.83 CA1 (0.67) CA1CA2CA12CA9ALDH1A1
SCHEMBL8802829 0.82 CA12 (0.75) LTA4HEPHX2TP53CA1CA2
SCHEMBL8558286 0.80 LMNA (0.59) LTA4HEPHX2CA1CA2CA12
SCHEMBL6320205 0.78 POLB (0.74) EPHX2ALDH1A1FPR2HPGDLMNA
SCHEMBL8803541 0.77 LTA4H (0.79) LTA4HEPHX2CA1CA2CA12
SCHEMBL4028224 0.77 CA1 (0.70) EPHX2CA1CA2ALDH1A1MAPT
SCHEMBL21346450 0.76 CA1 (0.69) LTA4HEPHX2CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379523-B1 1,2,3,4-TETRAHYDROISOQUINOLINES DERIVATIVES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-07-27 EP disclosed
US-20040242564-A1 1,2,3,4-tetrahydroisoquinolines derivatives VELKER JORG (DE) 2004-12-02 US disclosed
US-6815451-B2 1,2,3,4-Tetrahydroisoquinolines derivatives as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2004-11-09 US disclosed
US-20040110744-A1 1 2 3 4 Tetrahydroisoquinolines derivatives as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2004-06-10 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-20040242564-A1 1,2,3,4-tetrahydroisoquinolines derivatives ADRA2C, ADRA1D, ADRB3 LTA4H 484/4885EPHX2 1216/4885TP53 4874/4885
US-20040110744-A1 1 2 3 4 Tetrahydroisoquinolines derivatives as urotensin II receptor antagonists UTS2R, NTSR2, NTSR1 LTA4H 247/4885EPHX2 860/4885TP53 4872/4885

“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.