SCHEMBL4529889

SCHEMBL4529889

COC(=O)c1cc(OC(F)F)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.48
ALDH1A1 P00352 1/20 0.46
AR P10275 1/20 0.42
ACACB O00763 1/20 0.41
MAPT P10636 3/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 2/20 0.40
KDM6B O15054 1/20 0.40
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
KDM3A Q9Y4C1 1/20 0.40
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL31175929 0.83 CCR1 (0.52) GRM4ALDH1A1ARMAPK1KDM4E
SCHEMBL1703544 0.83 CCR1 (0.52) GRM4ALDH1A1ARMAPK1KDM4E
SCHEMBL31032172 0.81 KDM4E (0.52) GRM4ALDH1A1MAPTTSHRTDP1
SCHEMBL29272378 0.81 KDM4E (0.52) GRM4ALDH1A1MAPTTSHRTDP1
SCHEMBL10695679 0.79 ALDH1A1 (0.47) ALDH1A1ARACACBMAPTMAPK1
SCHEMBL21623015 0.79 AR (0.49) ALDH1A1ARACACBMAPTGAA
SCHEMBL17138440 0.79 ALDH1A1 (0.47) ALDH1A1ARACACBMAPTMAPK1
SCHEMBL30640076 0.77 MAPK1 (0.56) GRM4MAPTMAPK1KDM4ENPC1
SCHEMBL2108310 0.77 MAPK1 (0.56) GRM4MAPTMAPK1KDM4ENPC1
SCHEMBL24512734 0.77 P2RX3 (0.56) LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 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-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R GRM4 486/4885ALDH1A1 2282/4885AR 1262/4885

“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.