SCHEMBL2011812

SCHEMBL2011812

CCCCc1ccccc1C(=O)N1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 12/20 0.48
SMO Q99835 1/20 0.38
CHRM1 P11229 2/20 0.37
TACR3 P29371 2/20 0.36
TACR1 P25103 1/20 0.36
KCNH2 Q12809 1/20 0.36
CNR1 P21554 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL2011814 0.86 TACR3 (0.45) NAAASMOTACR3TACR1KCNH2
SCHEMBL2014337 0.86 NAAA (0.50) NAAASMOTACR3TACR1KCNH2
SCHEMBL2008063 0.85 NAAA (0.49) NAAASMO
SCHEMBL2010642 0.85 NAAA (0.49) NAAASMOTACR3TACR1KCNH2
SCHEMBL2012545 0.85 NAAA (0.49) NAAASMOTACR3
SCHEMBL2004262 0.83 SMO (0.53) NAAASMOTACR3TACR1KCNH2
SCHEMBL4685415 0.83 SMO (0.52) NAAASMOTACR3TACR1KCNH2
SCHEMBL2010870 0.82 TACR3 (0.48) NAAASMOTACR3TACR1KCNH2
SCHEMBL2002581 0.82 SMO (0.51) NAAASMOTACR3TACR1KCNH2
SCHEMBL3144331 0.82 NAAA (0.48) NAAASMOCHRM1

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 2 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
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 NAAA 2950/4885SMO 1404/4885CHRM1 3769/4885

“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.