SCHEMBL12059792

SCHEMBL12059792

Cc1cccc(-c2ccc3c(=O)n4c(nc3c2)CCC2(CC4)OCCO2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.42
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 9/20 0.38
KDM4E B2RXH2 4/20 0.38
GAA P10253 3/20 0.38
HPGD P15428 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
CYP1A2 P05177 2/20 0.37
USP2 O75604 2/20 0.37
ALOX15 P16050 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
BCHE P06276 1/20 0.37
CFTR P13569 1/20 0.37
ACHE P22303 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL12059166 0.86 SMN1; SMN2 (0.42) RAB9ANPC1ALDH1A1KDM4EGAA
SCHEMBL12059611 0.85 RAB9A (0.43) RAB9ANPC1ALDH1A1KDM4EGAA
SCHEMBL12059383 0.85 SMN1; SMN2 (0.45) RAB9ANPC1ALDH1A1KDM4EGAA
SCHEMBL12059607 0.85 SMN1; SMN2 (0.41) RAB9ANPC1ALDH1A1KDM4EGAA
SCHEMBL12059604 0.84 ALDH1A1 (0.46) RAB9ANPC1ALDH1A1KDM4EGAA
SCHEMBL12059165 0.84 RAB9A (0.45) RAB9ANPC1ALDH1A1KDM4EGAA
SCHEMBL12059782 0.83 ALDH1A1 (0.40) RAB9ANPC1ALDH1A1KDM4EGAA
SCHEMBL12059585 0.83 SMN1; SMN2 (0.37) RAB9ANPC1ALDH1A1KDM4EGAA
SCHEMBL12059594 0.82 RAB9A (0.39) RAB9ANPC1ALDH1A1KDM4EGAA
SCHEMBL12059378 0.82 ALDH1A1 (0.47) RAB9ANPC1ALDH1A1KDM4EGAA

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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 RAB9A 1387/4885NPC1 811/4885ALDH1A1 1721/4885

“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.