SCHEMBL2899343

SCHEMBL2899343

Fc1cccc(-c2cc([C@H]3CCCN3)no2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.42
SCN9A Q15858 1/20 0.40
HTR7 P34969 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SCD5 Q86SK9 2/20 0.38
GRM5 P41594 2/20 0.37
IL4I1 Q96RQ9 1/20 0.37
NISCH Q9Y2I1 1/20 0.37

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
SCHEMBL2899344 1.00 RPS6KB1 (0.42) RPS6KB1SCN9AHTR7NR1H4KDM4E
SCHEMBL3975733 0.85 RAB9A (0.47) SCN9ANR1H4ALDH1A1
SCHEMBL4082606 0.85 RAB9A (0.47) SCN9ANR1H4ALDH1A1
SCHEMBL16464581 0.85 RAB9A (0.47) SCN9ANR1H4ALDH1A1
SCHEMBL5483346 0.85 RAB9A (0.48) HTR7NR1H4ALDH1A1
SCHEMBL2898404 0.85 CASP3 (0.41) HTR7NR1H4GRM5NISCH
SCHEMBL2898408 0.85 CASP3 (0.41) HTR7NR1H4GRM5NISCH
SCHEMBL8226952 0.85 NR1H4 (0.39) NR1H4
SCHEMBL14387422 0.85 NR1H4 (0.39) NR1H4
Hydrochloric Acid SCHEMBL17064000 0.84 RAB9A (0.46) SCN9ANR1H4ALDH1A1

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
EP-2027120-A2 MGLUR5 MODULATORS I AstraZeneca AB (SE) 2009-02-25 EP claimed
WO-2007130820-A2 MGLUR5 MODULATORS I ASTRAZENECA AB (SE) 2007-11-15 WO claimed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 US claimed
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US disclosed
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US disclosed
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US disclosed
WO-2007130820-A2 MGLUR5 MODULATORS I ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 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 (1 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-20070259862-A1 MGluR5 modulators I GRM5, GRM1, GRIK5 RPS6KB1 1262/4885SCN9A 1098/4885HTR7 208/4885

“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.