SCHEMBL14239083

SCHEMBL14239083

CC1(C)CCc2nc3cc(N)ccc3c(=O)n2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 8/20 0.39
NPC1 O15118 7/20 0.39
LMNA P02545 2/20 0.39
CYP2C19 P33261 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 2/20 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
GOPC Q9HD26 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 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
SCHEMBL20756325 0.86 SMN1; SMN2 (0.50) ALDH1A1KDM4EHSD17B10RAB9ANPC1
SCHEMBL14239082 0.85 LMNA (0.42) ALDH1A1KDM4ERAB9ANPC1LMNA
SCHEMBL2053715 0.85 RAB9A (0.44) ALDH1A1KDM4EHSD17B10RAB9ANPC1
SCHEMBL14239089 0.82 KDM4E (0.48) ALDH1A1KDM4ERAB9ANPC1LMNA
SCHEMBL14239071 0.82 LMNA (0.38) ALDH1A1KDM4EHSD17B10RAB9ANPC1
SCHEMBL14239384 0.82 MAPK1 (0.41) ALDH1A1RAB9ANPC1LMNACYP2C19
SCHEMBL14239385 0.82 LMNA (0.38) ALDH1A1KDM4EHSD17B10RAB9ANPC1
SCHEMBL14239081 0.82 CYP1A1 (0.47) ALDH1A1KDM4EHSD17B10HPGDRAB9A
SCHEMBL14239370 0.81 MAPK1 (0.41) ALDH1A1RAB9ANPC1LMNACYP2C19
SCHEMBL14239838 0.81 MAPK1 (0.43) ALDH1A1RAB9ANPC1LMNACYP2C19

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640510-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof SUNOVION PHARMACEUTICALS INC. (US) 2020-05-05 US disclosed
US-10640510-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof SUNOVION PHARMACEUTICALS INC. (US) 2020-05-05 US disclosed
US-20200079778-A9 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARMACEUTICALS INC. 2020-03-12 US disclosed
US-20190135815-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-05-09 US disclosed
US-20190135815-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-05-09 US disclosed
US-10196399-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof SUNOVION PHARMACEUTICALS INC. (US) 2019-02-05 US disclosed
US-10196399-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof SUNOVION PHARMACEUTICALS INC. (US) 2019-02-05 US disclosed
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARAMCEUTICALS INC. 2018-02-08 US disclosed
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARAMCEUTICALS INC. 2018-02-08 US disclosed
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARAMCEUTICALS INC. 2018-02-08 US disclosed
US-9708331-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-07-18 US disclosed
US-9708331-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-07-18 US disclosed
US-20160251359-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2016-09-01 US disclosed
US-9260452-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2016-02-16 US disclosed
US-9260452-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2016-02-16 US disclosed
US-9260452-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2016-02-16 US disclosed
US-20140179682-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-06-26 US disclosed
US-20140179682-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-06-26 US disclosed
US-20140179682-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-06-26 US disclosed
WO-2012170845-A2 METABOTROPIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF HEFFERNAN MICHELE L R (US) 2012-12-13 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 (7 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-10196399-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof GRM5, GRIK5, GRM2 ALDH1A1 2952/4885KDM4E 2910/4885HSD17B10 1101/4885
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 ALDH1A1 2952/4885KDM4E 2910/4885HSD17B10 1101/4885
US-20160251359-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 ALDH1A1 2494/4885KDM4E 3093/4885HSD17B10 1045/4885
US-20190135815-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 ALDH1A1 2952/4885KDM4E 2910/4885HSD17B10 1101/4885
US-20200079778-A9 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 ALDH1A1 2952/4885KDM4E 2910/4885HSD17B10 1101/4885
US-10640510-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof GRM5, GRIK5, GRM2 ALDH1A1 2952/4885KDM4E 2910/4885HSD17B10 1101/4885
US-20140179682-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 ALDH1A1 2494/4885KDM4E 3093/4885HSD17B10 1045/4885

“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.