SCHEMBL4780905

SCHEMBL4780905

CC(C)(C)OC(=O)N1CCN(c2cccc(Cl)c2C(F)(F)F)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.48
MAPK8 P45983 1/20 0.48
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GPR119 Q8TDV5 3/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PDK2 Q15119 1/20 0.45
TP53 P04637 1/20 0.44
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43

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
SCHEMBL13489670 0.86 TP53 (0.48) MAPTMEN1KMT2AGPR119LMNA
SCHEMBL14852499 0.85 MEN1 (0.56) STSMAPK8MAPTPOLBMEN1
SCHEMBL30208139 0.85 MEN1 (0.56) STSMAPK8MAPTPOLBMEN1
SCHEMBL30885788 0.85 MAPT (0.51) STSMAPK8MAPTPOLBMEN1
SCHEMBL25003034 0.85 MAPT (0.51) STSMAPK8MAPTPOLBMEN1
SCHEMBL246696 0.84 DRD2 (0.56) STSMAPK8MAPTPOLBMEN1
SCHEMBL21996003 0.83 LMNA (0.56) STSMAPK8MAPTPOLBMEN1
SCHEMBL5080539 0.83 AKR1C3 (0.46) MAPTMEN1KMT2AALDH1A1
SCHEMBL3072141 0.82 PDK2 (0.47) MAPTPOLBMEN1KMT2AGPR119
SCHEMBL5363084 0.82 STS (0.50) STSMAPK8MAPTPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008084324-A1 NAPHTHYRIDINONE COMPOUND PFIZER PRODUCTS INC. (US) 2008-07-17 WO disclosed
WO-2008084324-A1 NAPHTHYRIDINONE COMPOUND PFIZER PRODUCTS INC. (US) 2008-07-17 WO disclosed
US-20080167319-A1 7-(4-(4-[3-CHLORO-2-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL)BUTOXY)-[1,8]-NAPHTHYRIDIN-2(1H)-ONE PFIZER INC. 2008-07-10 US disclosed
US-20080167319-A1 7-(4-(4-[3-CHLORO-2-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL)BUTOXY)-[1,8]-NAPHTHYRIDIN-2(1H)-ONE PFIZER INC. 2008-07-10 US disclosed
US-20080167319-A1 7-(4-(4-[3-CHLORO-2-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL)BUTOXY)-[1,8]-NAPHTHYRIDIN-2(1H)-ONE PFIZER INC. 2008-07-10 US disclosed
WO-2008020306-A2 ISOINDOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-21 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-20080167319-A1 7-(4-(4-[3-CHLORO-2-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL)BUTOXY)-[1,8]-NAPHTHYRIDIN-2(1H)-ONE BDNF, SCN7A, GRIN2C STS 2388/4885MAPK8 791/4885MAPT 142/4885

“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.