SCHEMBL2897705

SCHEMBL2897705

C/N=C(\SC)N1CCCC1c1cc(-c2cccc(Cl)c2)on1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HCRTR1 O43613 3/20 0.44
HCRTR2 O43614 3/20 0.44
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
GRM5 P41594 7/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL8075273 1.00 USP30 (0.47) USP30SMN1; SMN2HCRTR1HCRTR2NPC1
SCHEMBL2897710 1.00 USP30 (0.47) USP30SMN1; SMN2HCRTR1HCRTR2NPC1
SCHEMBL4146420 1.00 USP30 (0.47) USP30SMN1; SMN2HCRTR1HCRTR2NPC1
SCHEMBL2894570 0.97 SMN1; SMN2 (0.46) USP30SMN1; SMN2HCRTR1HCRTR2NPC1
SCHEMBL5475126 0.97 SMN1; SMN2 (0.46) USP30SMN1; SMN2HCRTR1HCRTR2NPC1
SCHEMBL2894573 0.97 SMN1; SMN2 (0.46) USP30SMN1; SMN2HCRTR1HCRTR2NPC1
SCHEMBL2894572 0.97 SMN1; SMN2 (0.46) USP30SMN1; SMN2HCRTR1HCRTR2NPC1
Iodomethane SCHEMBL5801516 0.95 SMN1; SMN2 (0.45) USP30SMN1; SMN2HCRTR1HCRTR2NPC1
Iodomethane SCHEMBL5801518 0.95 SMN1; SMN2 (0.45) USP30SMN1; SMN2HCRTR1HCRTR2NPC1
SCHEMBL5479960 0.90 SMN1; SMN2 (0.48) USP30SMN1; SMN2HCRTR1HCRTR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090111823-A1 AMINOPYRIDINE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
WO-2009054792-A1 AMINOPYRIDINE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO 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
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-09 US disclosed
EP-1716143-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-02 EP disclosed
US-20060025414-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-02-02 US disclosed
WO-2005080386-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (US) 2005-09-01 WO 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 (4 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 USP30 3125/4885SMN1; SMN2 1207/4885HCRTR1 191/4885
US-20090111823-A1 AMINOPYRIDINE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM2 USP30 3826/4885SMN1; SMN2 1583/4885HCRTR1 834/4885
US-20060025414-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 USP30 2814/4885SMN1; SMN2 3066/4885HCRTR1 109/4885
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 USP30 2830/4885SMN1; SMN2 3354/4885HCRTR1 113/4885

“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.