SCHEMBL14726018

SCHEMBL14726018

CC(C)n1cnc2cc(F)c(F)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.49
GGPS1 O95749 1/20 0.43
FDPS P14324 1/20 0.43
IDO1 P14902 5/20 0.43
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GFER P55789 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL17563260 0.87 HCAR3 (0.45) HCAR3GGPS1FDPSIDO1RAB9A
SCHEMBL17694878 0.86 HCAR3 (0.44) HCAR3GGPS1FDPSIDO1RAB9A
SCHEMBL17212367 0.86 HCAR3 (0.44) HCAR3IDO1RAB9ANPC1KDM4E
SCHEMBL24463361 0.86 HCAR3 (0.44) HCAR3GGPS1FDPSIDO1RAB9A
SCHEMBL19836276 0.83 HCAR3 (0.46) HCAR3GGPS1FDPSIDO1RAB9A
SCHEMBL7724928 0.78 POLB (0.56) HCAR3GGPS1FDPSRAB9ANPC1
SCHEMBL15723611 0.78 HCAR3 (0.46) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL30914208 0.78 HCAR3 (0.58) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL7721135 0.78 HCAR3 (0.58) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL12747298 0.77 HCAR3 (0.49) HCAR3RAB9ANPC1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-9630947-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-25 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-9073890-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US 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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA HCAR3 1848/4885GGPS1 2005/4885FDPS 2386/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG HCAR3 2588/4885GGPS1 2696/4885FDPS 2871/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA HCAR3 1848/4885GGPS1 2005/4885FDPS 2386/4885

“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.