SCHEMBL5358231

SCHEMBL5358231

Cc1ccc(CNC2Cc3ccccc3C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.58
FYN P06241 1/20 0.54
ACHE P22303 2/20 0.54
BACE1 P56817 2/20 0.54
BCHE P06276 1/20 0.51
RB1 P06400 3/20 0.49
SIGMAR1 Q99720 1/20 0.47
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD2 P14416 2/20 0.46
DRD3 P35462 1/20 0.46
HDAC1 Q13547 1/20 0.44
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL10447002 0.98 GRIN2B (0.57) GRIN2BFYNACHEBACE1BCHE
SCHEMBL3834622 0.85 GRIN2B (0.77) GRIN2BFYNACHEBACE1BCHE
Hydrochloric Acid SCHEMBL10446804 0.83 GRIN2B (0.74) GRIN2BFYNACHEBACE1BCHE
SCHEMBL5358070 0.82 GRIN2B (0.58) GRIN2BFYNACHEBACE1BCHE
SCHEMBL6833760 0.82 GRIN2B (0.58) GRIN2BFYNACHEBACE1BCHE
SCHEMBL13357772 0.82 GRIN2B (0.58) GRIN2BFYNACHEBACE1BCHE
SCHEMBL8338757 0.81 GRIN2B (0.54) GRIN2BFYNSIGMAR1MEN1RAB9A
SCHEMBL5361147 0.81 KMT2A (0.60) GRIN2BFYNMEN1KMT2ADRD2
SCHEMBL5373232 0.81 ACHE (0.58) GRIN2BFYNACHEBACE1BCHE
Hydrochloric Acid SCHEMBL10447191 0.81 POLB (0.62) GRIN2BFYNACHEBACE1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291621-B2 Substituted biaryl amides C5a receptor modulators NEUROGEN CORPORATION (US) 2007-11-06 US claimed
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-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

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 GRIN2B 1318/4885FYN 1219/4885ACHE 2569/4885
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators C5AR1, C5AR2, C3AR1 GRIN2B 1350/4885FYN 1208/4885ACHE 2431/4885
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 GRIN2B 1350/4885FYN 1208/4885ACHE 2431/4885

“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.