SCHEMBL3046098

SCHEMBL3046098

CC1CN(c2nc(C(O)c3ccc(Oc4ccccc4)cc3)ns2)CCN1C(=O)c1cccc(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.45
CASR P41180 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
TACR3 P29371 1/20 0.36
KCNH2 Q12809 1/20 0.36
SMO Q99835 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
MAPT P10636 1/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
CRHR2 Q13324 1/20 0.35
ADORA2A P29274 2/20 0.34
MGLL Q99685 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
SCHEMBL3069078 0.92 TACR3 (0.40) GRM5TACR3KCNH2SMONPC1
SCHEMBL3063672 0.84 TACR3 (0.40) TACR3KCNH2SMONPC1RAB9A
SCHEMBL3063142 0.84 SMO (0.38) SMONPC1RAB9AMEN1KMT2A
SCHEMBL3062959 0.82 TACR3 (0.47) TACR3KCNH2
SCHEMBL3045813 0.82 ALDH1A1 (0.44) SMONPC1RAB9AMEN1KMT2A
SCHEMBL3055311 0.81 NAAA (0.35) SMONPC1RAB9A
SCHEMBL3052701 0.80 PDE4B (0.41)
SCHEMBL3052252 0.80 MEN1 (0.36) SMONPC1RAB9AMEN1KMT2A
SCHEMBL3056129 0.79 RAB9A (0.39) SMONPC1RAB9AHTTMGLL
SCHEMBL3055314 0.79 NAAA (0.37) HCRTR1HCRTR2NPC1RAB9AMEN1

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-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 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 (3 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 GRM5 2650/4885CASR 4855/4885HCRTR1 1928/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 GRM5 2650/4885CASR 4855/4885HCRTR1 1928/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 GRM5 2650/4885CASR 4855/4885HCRTR1 1928/4885

“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.