SCHEMBL6922268

SCHEMBL6922268

CC(C)CC1CCCCc2nc3cc(-c4ccc(F)cc4)ccc3c(=O)n21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 1/20 0.38
CTSD P07339 4/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LRRK2 Q5S007 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RXFP1 Q9HBX9 1/20 0.34
TSHR P16473 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL6921571 0.87 RAB9A (0.36) RAB9ANPC1LMNACYP3A4ALDH1A1
SCHEMBL12059550 0.84 RAB9A (0.38) CYP2D6RAB9ANPC1LMNACTSD
SCHEMBL6920913 0.83 CACNA2D1 (0.37) RAB9ANPC1LMNAALDH1A1SMN1; SMN2
SCHEMBL6922592 0.74 CYP2D6 (0.40) CYP2D6RAB9ANPC1LMNACTSD
SCHEMBL6922253 0.72 RAB9A (0.63) RAB9ANPC1LMNACYP3A4ALDH1A1
SCHEMBL6922850 0.72 RAB9A (0.36) RAB9ANPC1LMNACYP3A4ALDH1A1
SCHEMBL6922383 0.71 L3MBTL1 (0.38) RAB9ANPC1CTSDCYP3A4ALDH1A1
SCHEMBL12059016 0.70 L3MBTL1 (0.38) CTSDCYP3A4LRRK2L3MBTL1
SCHEMBL6920491 0.70 L3MBTL1 (0.36) CTSDCYP3A4LRRK2L3MBTL1
SCHEMBL6921785 0.70 PIM1 (0.38) CTSDCYP3A4LRRK2L3MBTL1

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 CYP2D6 3733/4885RAB9A 1387/4885NPC1 811/4885

“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.