SCHEMBL1019006

SCHEMBL1019006

CC(C)(C)C1CN(c2ccc(CN)cc2)CCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.37
NR1H3 Q13133 4/20 0.37
CHRM4 P08173 3/20 0.37
AGTR2 P50052 1/20 0.36
SLC6A7 Q99884 1/20 0.36
ITGB3 P05106 3/20 0.36
ITGA2B P08514 3/20 0.36
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
ME2 P23368 1/20 0.35
ME1 P48163 1/20 0.35
ME3 Q16798 1/20 0.35
RORC P51449 1/20 0.35
NOTUM Q6P988 1/20 0.35
FAAH O00519 1/20 0.34
OPRK1 P41145 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
SCHEMBL14694277 0.85 S1PR1 (0.40) CHRM4
SCHEMBL16371697 0.85 GFER (0.47) NR1H2AGTR2SLC6A7CTSBCTSS
SCHEMBL29252729 0.85 AGTR2 (0.48) NR1H2NR1H3CHRM4AGTR2SLC6A7
SCHEMBL4225875 0.83 AKR1C3 (0.40) NR1H2NR1H3CHRM4AGTR2SLC6A7
SCHEMBL21997577 0.82 CA2 (0.42) AGTR2
SCHEMBL17923089 0.81 AGTR2 (0.37) NR1H2NR1H3AGTR2SLC6A7CTSB
SCHEMBL15009155 0.81 OPRK1 (0.37) NR1H2NR1H3CHRM4AGTR2ITGB3
SCHEMBL28036150 0.81 HTR1A (0.48) FAAH
SCHEMBL4757742 0.81 ALDH1A1 (0.47) AGTR2SLC6A7NOTUM
SCHEMBL21224830 0.80 SLC6A7 (0.40) AGTR2SLC6A7ITGB3ITGA2BCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 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-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP NR1H2 3180/4885NR1H3 3422/4885CHRM4 3766/4885

“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.