SCHEMBL2309554

SCHEMBL2309554

CC1CN(Cc2ccccc2)C(=O)C(C(F)(F)F)O1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 11/20 0.48
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
BRD4 O60885 1/20 0.39
PREP P48147 1/20 0.38

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
SCHEMBL16168933 0.81 GRM2 (0.54) GRM2HPGDTSHRSMN1; SMN2ALDH1A1
SCHEMBL12703730 0.81 GRM2 (0.54) GRM2HPGDTSHRSMN1; SMN2ALDH1A1
SCHEMBL21906188 0.78 OPRM1 (0.42) GRM2HPGDTSHRBRD4PREP
SCHEMBL14919433 0.78 OPRM1 (0.42) GRM2HPGDTSHRBRD4PREP
SCHEMBL1591417 0.78 OPRM1 (0.42) GRM2HPGDTSHRBRD4PREP
SCHEMBL25111528 0.78 OPRM1 (0.42) GRM2HPGDTSHRBRD4PREP
SCHEMBL32685260 0.75 TSHR (0.46) HPGDTSHRSMN1; SMN2ALDH1A1
SCHEMBL2305283 0.75 GRM2 (0.47) GRM2HPGDTSHRPREP
SCHEMBL21906103 0.74 BRD4 (0.38) GRM2HPGDTSHRALDH1A1BRD4
SCHEMBL10960616 0.72 GRM2 (0.83) GRM2HTR2A

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
EP-2350077-B1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ENTASIS THERAPEUTICS LTD (GB) 2016-01-27 EP disclosed
US-20150368266-A1 CHEMICAL COMPOUNDS 542 ENTASIS THERAPEUTICS INC. 2015-12-24 US disclosed
US-9040528-B2 Chemical compounds 542 ASTRAZENECA AB (SE) 2015-05-26 US disclosed
US-20140128371-A1 CHEMICAL COMPOUNDS 542 ASTRAZENECA AB (SE) 2014-05-08 US disclosed
US-8658641-B2 Fused, spirocyclic heteroaromatic compounds for the treatment of bacterial infections ASTRAZENECA AB (SE) 2014-02-25 US disclosed
US-20110245224-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2011-10-06 US disclosed
EP-2350077-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS AstraZeneca AB (SE) 2011-08-03 EP disclosed
WO-2010043893-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-04-22 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-20150368266-A1 CHEMICAL COMPOUNDS 542 MRPL21, CFTR, CYP3A43 GRM2 4194/4885HPGD 368/4885TSHR 3790/4885
US-20110245224-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS SDHB, SDHA, RORC GRM2 4676/4885HPGD 230/4885TSHR 3708/4885
US-20140128371-A1 CHEMICAL COMPOUNDS 542 MRPL21, CFTR, CYP3A43 GRM2 4194/4885HPGD 368/4885TSHR 3790/4885

“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.