SCHEMBL4515095

SCHEMBL4515095

CCCC1CCCCCN1C(=O)c1cncc(N(Cl)c2ccc(C)nc2)c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.58
NFE2L2 Q16236 5/20 0.42
KEAP1 Q14145 1/20 0.42
HCRTR1 O43613 1/20 0.38

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
SCHEMBL4529142 0.78 GRM5 (0.47) GRM5
SCHEMBL4528127 0.76 GRM5 (0.58) GRM5
SCHEMBL18706643 0.75 ALDH1A1 (0.59) GRM5NFE2L2KEAP1
SCHEMBL18706645 0.75 ALDH1A1 (0.59) GRM5NFE2L2KEAP1
SCHEMBL990982 0.74 GRM5 (0.98) GRM5HCRTR1
SCHEMBL990799 0.73 GRM5 (1.00) GRM5HCRTR1
SCHEMBL992091 0.73 GRM5 (1.00) GRM5HCRTR1
SCHEMBL990800 0.73 GRM5 (1.00) GRM5HCRTR1
SCHEMBL5909114 0.73 GRM5 (0.66) GRM5
SCHEMBL4530472 0.71 GABRA5 (0.39) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005363-A1 Organic Compounds NOVARTIS AG (CH) 2009-01-01 US claimed

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-20090005363-A1 Organic Compounds NNT, NAPRT, CHRNA5 GRM5 680/4885NFE2L2 3769/4885KEAP1 3536/4885

“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.