SCHEMBL2899397

SCHEMBL2899397

COc1cc(-c2nnc(N3CCCCC3c3cc(-c4cccc(Cl)c4)on3)n2C)nc(OC)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 6/20 0.35
RAB9A P51151 6/20 0.35
GRM5 P41594 5/20 0.35
TP53 P04637 2/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
CXCR1 P25024 1/20 0.34
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL5450497 0.82 KCNH2 (0.42) SMN1; SMN2ALDH1A1NPC1RAB9AGRM5
SCHEMBL4060315 0.81 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL5628073 0.80 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1NPC1RAB9AGRM5
SCHEMBL5433709 0.80 KCNH2 (0.42) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL2899532 0.79 GRM5 (0.42) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL2899530 0.79 GRM5 (0.42) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL2899180 0.79 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL2896759 0.79 GRM5 (0.42) SMN1; SMN2ALDH1A1NPC1RAB9AGRM5
SCHEMBL2896753 0.79 GRM5 (0.42) SMN1; SMN2ALDH1A1NPC1RAB9AGRM5
SCHEMBL5440803 0.78 GRM5 (0.41) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A

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 9 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
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 SMN1; SMN2 1207/4885ALDH1A1 4350/4885MAPT 750/4885

“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.