SCHEMBL2899530

SCHEMBL2899530

Cc1cc(-c2nnc(N3CCC[C@@H]3c3cc(-c4cccc(Cl)c4)on3)n2C)cc(=O)n1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
ALDH1A1 P00352 1/20 0.39
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
USP30 Q70CQ3 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 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
SCHEMBL2899532 1.00 GRM5 (0.42) GRM5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2898403 0.90 GRM5 (0.55) GRM5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2897984 0.90 GRM5 (0.55) GRM5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2890013 0.89 GRM5 (0.41) GRM5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2890020 0.89 GRM5 (0.41) GRM5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2897938 0.88 SCD (0.44) GRM5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2897935 0.88 SCD (0.44) GRM5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5433709 0.87 KCNH2 (0.42) GRM5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2897993 0.87 SMN1; SMN2 (0.41) GRM5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2897988 0.87 SMN1; SMN2 (0.41) GRM5SMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US 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
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 GRM5 1/4885SMN1; SMN2 1207/4885NPC1 705/4885

“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.