SCHEMBL5997936

SCHEMBL5997936

O=C(Cc1ccc(F)cc1)NCC(c1ccc(CI)cc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 1/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CNR2 P34972 4/20 0.49
KDM4E B2RXH2 1/20 0.47
SLC6A2 P23975 3/20 0.45
SLC6A4 P31645 3/20 0.45
SLC6A3 Q01959 3/20 0.45
TACR1 P25103 1/20 0.44
HTT P42858 1/20 0.44
LTA4H P09960 1/20 0.44
EPHX2 P34913 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
SLC6A9 P48067 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
SCHEMBL7134347 0.91 CNR2 (0.58) ALDH1A1RAB9ACYP3A4CYP2D6CYP2C9
SCHEMBL5999559 0.87 SLC6A9 (0.51) ALDH1A1RAB9ASLC6A9LMNAKMT2A
SCHEMBL5998535 0.81 TACR1 (0.62) CNR2TACR1LTA4HEPHX2OPRM1
SCHEMBL5998887 0.79 RAB9A (0.55) ALDH1A1RAB9ACYP3A4CYP2D6CYP2C9
SCHEMBL5998400 0.78 TACR1 (0.62) CNR2TACR1LTA4HEPHX2CNR1
SCHEMBL8939335 0.77 ALDH1A1 (0.61) ALDH1A1RAB9ACYP3A4CYP2D6CYP2C9
SCHEMBL5999076 0.75 TACR1 (0.54) RAB9ACNR2TACR1EPHX2OPRM1
SCHEMBL5997623 0.75 SLC6A9 (0.51) RAB9ACYP2D6CYP2C9KDM4ESLC6A9
SCHEMBL5998526 0.73 RAB9A (0.58) ALDH1A1RAB9ACYP2C9CYP2C19KDM4E
SCHEMBL27433623 0.72 MAPK14 (0.41) ALDH1A1RAB9ACYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082601-A1 Anti-inflammatory compounds SCOTT MALCOLM K (US) 2004-04-29 US claimed
US-20030171585-A1 Triphenylpropanamide compounds SCOTT MALCOLM K (US) 2003-09-11 US claimed
US-20020103217-A1 Anti-inflammatory compounds SCOTT MALCOLM K (US) 2002-08-01 US claimed
US-6372779-B1 ANTHRACENE DERIVATIVES WITH CARBAMOYL GROUPS, AMIDO GROUPS, UREA GROUPS AND SULFONAMIDE GROUPS ORTHO PHARMACEUTICAL CORPORATION 2002-04-16 US claimed
EP-0966430-A1 ANTI-INFLAMMATORY COMPOUNDS Ortho-Mcneil Pharmaceutical Corp. (US) 1999-12-29 EP claimed
WO-1999033786-A1 ANTI-INFLAMMATORY COMPOUNDS ORTHO-MCNEIL PHARMACEUTICAL CORPORATION (US) 1999-07-08 WO claimed
US-7141674-B2 Anti-inflammatory compounds JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2006-11-28 US disclosed
US-20040082601-A1 Anti-inflammatory compounds SCOTT MALCOLM K (US) 2004-04-29 US disclosed
US-20030171585-A1 Triphenylpropanamide compounds SCOTT MALCOLM K (US) 2003-09-11 US disclosed
US-6509369-B2 Triphenylpropanamide compounds; useful in treating inflammations but which do not demonstrate side effects associated with other anti-inflammatory treatments such as glucocorticoids ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-01-21 US disclosed
US-20020103217-A1 Anti-inflammatory compounds SCOTT MALCOLM K (US) 2002-08-01 US disclosed
EP-0966430-B1 ANTI-INFLAMMATORY COMPOUNDS ORTHO MCNEIL PHARM INC (US) 2002-06-05 EP disclosed
US-6372779-B1 ANTHRACENE DERIVATIVES WITH CARBAMOYL GROUPS, AMIDO GROUPS, UREA GROUPS AND SULFONAMIDE GROUPS ORTHO PHARMACEUTICAL CORPORATION 2002-04-16 US disclosed
EP-0966430-A1 ANTI-INFLAMMATORY COMPOUNDS Ortho-Mcneil Pharmaceutical Corp. (US) 1999-12-29 EP disclosed
WO-1999033786-A1 ANTI-INFLAMMATORY COMPOUNDS ORTHO-MCNEIL PHARMACEUTICAL CORPORATION (US) 1999-07-08 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 (3 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-20040082601-A1 Anti-inflammatory compounds TNF, PTGES, PTGES2 ALDH1A1 923/4885RAB9A 3661/4885CYP3A4 744/4885
US-20030171585-A1 Triphenylpropanamide compounds PTGES, PTGES2, MPO ALDH1A1 408/4885RAB9A 3374/4885CYP3A4 846/4885
US-20020103217-A1 Anti-inflammatory compounds TNF, PTGES, PTGES2 ALDH1A1 923/4885RAB9A 3661/4885CYP3A4 744/4885

“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.