SCHEMBL4512141

SCHEMBL4512141

CC1CCCN(C(=O)c2ccc(Nc3ccccc3)nc2)C1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.80
HCAR3 P49019 1/20 0.55
RECQL P46063 1/20 0.54
NAMPT P43490 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 1/20 0.53
RAB9A P51151 1/20 0.53

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
Hydrochloric Acid SCHEMBL990887 0.99 GRM5 (0.79) GRM5HCAR3RECQLNAMPTALDH1A1
SCHEMBL27723141 0.90 GRM5 (0.82) GRM5RECQLKDM4ERAB9A
SCHEMBL990086 0.89 GRM5 (1.00) GRM5RECQL
SCHEMBL990084 0.89 GRM5 (1.00) GRM5RECQL
SCHEMBL990182 0.89 GRM5 (1.00) GRM5RECQL
Hydrochloric Acid SCHEMBL990917 0.87 GRM5 (0.77) GRM5ALDH1A1KDM4ERAB9A
Hydrochloric Acid SCHEMBL990868 0.86 GRM5 (0.76) GRM5ALDH1A1
SCHEMBL990132 0.86 GRM5 (0.76) GRM5
SCHEMBL989586 0.86 GRM5 (0.76) GRM5
SCHEMBL989454 0.86 GRM5 (0.76) 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 680/4885HCAR3 184/4885RECQL 2194/4885

“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.