SCHEMBL6922270

SCHEMBL6922270

O=c1c2ccc(-c3cccc(F)c3)cc2nc2n1CCC1(CCCN1)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
KCNH2 Q12809 1/20 0.41
HDAC1 Q13547 1/20 0.41
RAB9A P51151 7/20 0.41
NPC1 O15118 5/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
CYP1A2 P05177 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
BCHE P06276 1/20 0.38
CFTR P13569 1/20 0.38
ALOX15 P16050 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
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 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
SCHEMBL6922030 0.87 RAB9A (0.40) RAB9ANPC1L3MBTL1CYP1A2ALDH1A1
SCHEMBL2053676 0.86 L3MBTL1 (0.40) RAB9ANPC1L3MBTL1CYP1A2ALDH1A1
SCHEMBL6921810 0.83 HDAC3 (0.35) HDAC3KCNH2HDAC1RAB9ANPC1
SCHEMBL6923330 0.81 KDM4E (0.58) RAB9ANPC1L3MBTL1CYP1A2ALDH1A1
SCHEMBL6920995 0.81 NPC1 (0.44) RAB9ANPC1L3MBTL1CYP1A2ALDH1A1
SCHEMBL6921643 0.81 MEN1 (0.57) RAB9ANPC1L3MBTL1CYP1A2ALDH1A1
SCHEMBL6921079 0.80 RAB9A (0.43) RAB9ANPC1L3MBTL1CYP1A2ALDH1A1
SCHEMBL6922755 0.80 ALDH1A1 (0.42) RAB9ANPC1L3MBTL1CYP1A2ALDH1A1
SCHEMBL6922282 0.79 RAB9A (0.39) RAB9ANPC1L3MBTL1CYP1A2ALDH1A1
SCHEMBL6922655 0.79 LMNA (0.39) RAB9ANPC1L3MBTL1CYP1A2ALDH1A1

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 HDAC3 587/4885KCNH2 3931/4885HDAC1 877/4885

“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.