SCHEMBL5366161

SCHEMBL5366161

O=C(c1cccc2ccccc12)N(Cc1ccccc1)Cc1ccc(O)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.54
TRPV1 Q8NER1 2/20 0.48
TSHR P16473 3/20 0.48
NR1D1 P20393 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
PDK1 Q15118 2/20 0.45
KDM4E B2RXH2 1/20 0.44
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
F7 P08709 1/20 0.44
GFER P55789 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5365513 0.80 CFTR (0.45) CFTRTRPV1TSHRPDK1
SCHEMBL5361690 0.76 TSHR (0.42) TSHRPDK1KDM4ETDP1
SCHEMBL5359353 0.74 HDAC1 (0.51) CFTRTSHRNR1D1HDAC1HDAC6
SCHEMBL7234299 0.74 MCL1 (0.43) CFTRTRPV1HDAC1HDAC6
SCHEMBL11332827 0.71 CFTR (1.00) CFTRTRPV1TSHRKDM4ETDP1
SCHEMBL28728624 0.70 GFER (0.39) TRPV1KDM4EGFER
SCHEMBL28659216 0.69 HPGD (0.56) CFTRTSHRHDAC1HDAC6KDM4E
SCHEMBL5074340 0.69 HDAC1 (0.53) CFTRTSHRHDAC1HDAC6PDK1
SCHEMBL5070018 0.68 HDAC1 (0.49) CFTRTSHRNR1D1HDAC1HDAC6
SCHEMBL5071312 0.68 HDAC1 (0.51) CFTRTSHRHDAC1HDAC6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2006-08-10 US claimed
EP-1487796-A4 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2005-11-16 EP claimed
EP-1487796-A1 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-12-22 EP claimed
US-20040048913-A1 Substituted biaryl amides as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-03-11 US claimed
WO-2003082826-A1 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 WO claimed
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

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 CFTR 2241/4885TRPV1 2165/4885TSHR 207/4885
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators C5AR1, C5AR2, C3AR1 CFTR 2330/4885TRPV1 2266/4885TSHR 198/4885
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 CFTR 2330/4885TRPV1 2266/4885TSHR 198/4885

“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.