SCHEMBL2897993

SCHEMBL2897993

Cn1c(-c2ccc(=O)n(C)n2)nnc1N1CCCC1c1cc(-c2cccc(Cl)c2)on1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
GRM5 P41594 7/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
ALDH1A1 P00352 1/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
USP30 Q70CQ3 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL2897988 1.00 SMN1; SMN2 (0.41) SMN1; SMN2GRM5NPC1RAB9AALDH1A1
SCHEMBL2890585 0.90 GRM5 (0.37) GRM5HCRTR1HCRTR2
SCHEMBL2890589 0.90 GRM5 (0.37) GRM5HCRTR1HCRTR2
SCHEMBL2897935 0.87 SCD (0.44) SMN1; SMN2GRM5NPC1RAB9AALDH1A1
SCHEMBL2897938 0.87 SCD (0.44) SMN1; SMN2GRM5NPC1RAB9AALDH1A1
SCHEMBL2899532 0.87 GRM5 (0.42) SMN1; SMN2GRM5NPC1RAB9AALDH1A1
SCHEMBL2899530 0.87 GRM5 (0.42) SMN1; SMN2GRM5NPC1RAB9AALDH1A1
SCHEMBL2890013 0.86 GRM5 (0.41) SMN1; SMN2GRM5NPC1RAB9AALDH1A1
SCHEMBL2890020 0.86 GRM5 (0.41) SMN1; SMN2GRM5NPC1RAB9AALDH1A1
SCHEMBL2897984 0.85 GRM5 (0.55) SMN1; SMN2GRM5NPC1RAB9AALDH1A1

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 4 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-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 SMN1; SMN2 1207/4885GRM5 1/4885NPC1 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.