SCHEMBL6922200

SCHEMBL6922200

O=C(NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3)c1ccc(F)cc1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.81
NPC1 O15118 9/20 0.81
LMNA P02545 4/20 0.81
SMN1; SMN2 Q16637 2/20 0.74
CYP2C19 P33261 2/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
ALDH1A1 P00352 5/20 0.71
MEN1 O00255 1/20 0.66
USP2 O75604 1/20 0.66
PKM P14618 1/20 0.66
TSHR P16473 1/20 0.66
KMT2A Q03164 1/20 0.66
POLB P06746 2/20 0.66
MAPK1 P28482 1/20 0.63
NSD2 O96028 1/20 0.63

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
SCHEMBL6921483 0.88 RAB9A (0.89) RAB9ANPC1LMNASMN1; SMN2CYP2C19
SCHEMBL2052740 0.82 ALDH1A1 (0.72) RAB9ANPC1LMNASMN1; SMN2CYP2C19
SCHEMBL5506562 0.81 RAB9A (0.65) RAB9ANPC1LMNASMN1; SMN2CYP2C19
SCHEMBL9994639 0.81 LMNA (0.69) RAB9ANPC1LMNASMN1; SMN2CYP2C19
SCHEMBL6921822 0.81 LMNA (0.69) RAB9ANPC1LMNASMN1; SMN2CYP2C19
SCHEMBL11088892 0.81 ALDH1A1 (0.70) RAB9ANPC1LMNASMN1; SMN2CYP2C19
SCHEMBL6922253 0.79 RAB9A (0.63) RAB9ANPC1LMNASMN1; SMN2CYP2C19
SCHEMBL11087150 0.78 NPC1 (0.66) RAB9ANPC1LMNASMN1; SMN2CYP2C19
SCHEMBL5507733 0.78 RAB9A (0.65) RAB9ANPC1LMNASMN1; SMN2CYP2C19
SCHEMBL31563000 0.78 RAB9A (0.65) RAB9ANPC1LMNASMN1; SMN2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2019-02-21 US disclosed
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-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-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
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 (3 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 811/4885LMNA 4613/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 RAB9A 1387/4885NPC1 811/4885LMNA 4613/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 RAB9A 1387/4885NPC1 811/4885LMNA 4613/4885

“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.