SCHEMBL6923633

SCHEMBL6923633

CNC1CCc2nc3cc(-c4cccc(F)c4)ccc3c(=O)n2CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.42
NPC1 O15118 8/20 0.42
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
DYRK1A Q13627 1/20 0.38
USP2 O75604 2/20 0.38
ALOX15 P16050 2/20 0.38
KDM4E B2RXH2 1/20 0.38
BCHE P06276 1/20 0.38
CFTR P13569 1/20 0.38
ACHE P22303 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GOPC Q9HD26 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL6920741 0.87 RAB9A (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL6922365 0.85 GRM5 (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL6921830 0.85 RAB9A (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL6920796 0.85 SSTR2 (0.45) RAB9ANPC1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL6920820 0.85 RAB9A (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL6922263 0.84 MAP4K4 (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL12059776 0.84 RAB9A (0.40) RAB9ANPC1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL12059547 0.84 RAB9A (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL6921833 0.82 RAB9A (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL6923330 0.82 KDM4E (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2CYP1A2

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-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
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 WO 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.