SCHEMBL5135947

SCHEMBL5135947

O=C(c1ccccc1-c1ccccc1)N(Cc1ccccc1F)C1Cc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
SLC6A2 P23975 6/20 0.43
SLC6A4 P31645 6/20 0.43
KCNH2 Q12809 2/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
C5AR1 P21730 1/20 0.42
DRD3 P35462 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
OPRM1 P35372 2/20 0.41
TACR1 P25103 1/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PRMT5 O14744 1/20 0.39
SLC6A3 Q01959 3/20 0.39
CYP2D6 P10635 2/20 0.39

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
SCHEMBL5355090 0.91 MAPT (0.45) MAPTSLC6A2SLC6A4KCNH2ALDH1A1
SCHEMBL5357490 0.88 MAPT (0.42) MAPTSLC6A2SLC6A4ALDH1A1KMT2A
SCHEMBL5137536 0.86 ALDH1A1 (0.46) SLC6A2SLC6A4KCNH2ALDH1A1MEN1
SCHEMBL5358046 0.85 MAPT (0.42) MAPTSLC6A2SLC6A4ALDH1A1MEN1
SCHEMBL5137387 0.84 MEN1 (0.57) SLC6A2SLC6A4KCNH2ALDH1A1MEN1
SCHEMBL5138006 0.84 ALDH1A1 (0.50) MAPTSLC6A2SLC6A4KCNH2ALDH1A1
SCHEMBL5135258 0.84 C5AR1 (0.45) MAPTSLC6A2SLC6A4KCNH2ALDH1A1
SCHEMBL5138056 0.83 MAPT (0.46) MAPTALDH1A1C5AR1OPRM1RAB9A
SCHEMBL5136513 0.83 TACR1 (0.43) MAPTSLC6A2SLC6A4KCNH2ALDH1A1
SCHEMBL5135917 0.83 MEN1 (0.48) MAPTSLC6A2SLC6A4KCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040048913-A1 Substituted biaryl amides as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-03-11 US claimed
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
US-7291621-B2 Substituted biaryl amides C5a receptor modulators NEUROGEN CORPORATION (US) 2007-11-06 US disclosed
US-7291621-B2 Substituted biaryl amides C5a receptor modulators NEUROGEN CORPORATION (US) 2007-11-06 US disclosed
US-7291621-B2 Substituted biaryl amides C5a receptor modulators NEUROGEN CORPORATION (US) 2007-11-06 US disclosed
US-7148225-B2 Substituted biaryl amides as C5A receptor modulators NEUROGEN CORPORATION (US) 2006-12-12 US disclosed
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2006-08-10 US disclosed
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2005-05-05 US disclosed
US-6858637-B2 Treating rheumatoid arthritis, psoriasis, cardiovascular disease, reperfusion injury, and bronchial asthma; e.g., 2-Methoxynaphthalene-1-carboxylic acid benzyl-indan-2-yl-amide NEUROGEN CORPORATION (US) 2005-02-22 US disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 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-20040048913-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 MAPT 4555/4885SLC6A2 1971/4885SLC6A4 2648/4885
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators C5AR1, C5AR2, C3AR1 MAPT 4545/4885SLC6A2 1929/4885SLC6A4 2621/4885
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 MAPT 4545/4885SLC6A2 1929/4885SLC6A4 2621/4885

“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.