SCHEMBL5483690

SCHEMBL5483690

C[C@@H](N)c1cc(-c2cccc(Cl)c2)on1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
TP53 P04637 3/20 0.48
THRB P10828 1/20 0.48
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GRM5 P41594 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
PNMT P11086 1/20 0.44
NOTUM Q6P988 1/20 0.43

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
SCHEMBL17788470 0.87 CSF1R (0.51) NPC1RAB9ATP53THRBMAPK1
SCHEMBL1844413 0.84 MAPK1 (0.50) NPC1RAB9ATP53THRBMAPK1
SCHEMBL1544213 0.84 MAPK1 (0.50) NPC1RAB9ATP53THRBMAPK1
SCHEMBL16504181 0.84 MAPK1 (0.50) NPC1RAB9ATP53THRBMAPK1
SCHEMBL19311899 0.84 NPC1 (0.49) NPC1RAB9ATHRBSMN1; SMN2NOTUM
SCHEMBL16044670 0.84 NPC1 (0.49) NPC1RAB9ATHRBSMN1; SMN2NOTUM
SCHEMBL16088990 0.83 RAB9A (0.52) NPC1RAB9AALDH1A1SMN1; SMN2NOTUM
SCHEMBL11804742 0.83 RAB9A (0.52) NPC1RAB9AALDH1A1SMN1; SMN2NOTUM
SCHEMBL13871020 0.82 MAPK1 (0.48) NPC1RAB9ATP53THRBMAPK1
SCHEMBL2896497 0.82 MAPK1 (0.48) NPC1RAB9ATP53THRBMAPK1

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-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US claimed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259860-A1 MGluR5 modulators V 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-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 NPC1 934/4885RAB9A 854/4885TP53 4883/4885

“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.