Sugi Predict

Sugi Predict / Compounds / SCHEMBL6921793

SCHEMBL6921793

SCHEMBL6921793

CNC(=O)CN1CCn2c(nc3cc(Br)ccc3c2=O)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ APP P05067 2/20 0.40
▸ MAPK1 P28482 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP2C19 P33261 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
SCHEMBL6923042 0.81 RAB9A (0.39) RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL6920986 0.81 GRM2 (0.44) RAB9ANPC1CRHBPCRHR2APP
SCHEMBL6921560 0.81 NPC1 (0.41) RAB9ANPC1CRHBPCRHR2APP
SCHEMBL6923721 0.80 NPC1 (0.40) RAB9ANPC1CRHBPCRHR2APP
SCHEMBL6923241 0.79 DPP4 (0.39) RAB9ANPC1TDP1ALDH1A1SMN1; SMN2
SCHEMBL6922766 0.79 ADORA2A (0.46) RAB9ANPC1CRHBPCRHR2APP
SCHEMBL6922596 0.78 RXFP1 (0.50) RAB9ANPC1CRHBPCRHR2APP
SCHEMBL12040659 0.78 NPC1 (0.40) RAB9ANPC1CRHBPCRHR2APP
SCHEMBL6921025 0.77 ALDH1A1 (0.52) APPMAPK1TDP1MAPTALDH1A1
SCHEMBL6921733 0.77 HRH4 (0.46) RAB9ANPC1CRHBPCRHR2APP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 — — US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 — — US disclosed
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 (2 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 811/4885CRHBP 412/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 RAB9A 1387/4885NPC1 811/4885CRHBP 412/4885

“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.