SCHEMBL2453979

SCHEMBL2453979

CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)Nc3cccc(Br)c3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP2C19 P33261 1/20 0.54
NAMPT P43490 1/20 0.53
MAPT P10636 5/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TSHR P16473 1/20 0.53
LMNA P02545 2/20 0.52
BACE1 P56817 1/20 0.51
ESRRB O95718 1/20 0.51
ESR1 P03372 1/20 0.51
ESRRA P11474 1/20 0.51
ESRRG P62508 1/20 0.51
GPR119 Q8TDV5 3/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL11889854 0.88 GPR119 (0.59) SMN1; SMN2MEN1KMT2ACYP2C19NAMPT
SCHEMBL2304722 0.88 MAPT (0.58) SMN1; SMN2MEN1KMT2ACYP2C19NAMPT
SCHEMBL24670268 0.87 KMT2A (0.64) SMN1; SMN2MEN1KMT2ACYP2C19NAMPT
SCHEMBL2451687 0.87 KMT2A (0.64) SMN1; SMN2MEN1KMT2ACYP2C19NAMPT
SCHEMBL5081454 0.87 NAMPT (0.65) SMN1; SMN2MEN1KMT2ACYP2C19NAMPT
SCHEMBL29803251 0.85 MAPT (0.69) SMN1; SMN2MEN1KMT2ACYP2C19NAMPT
SCHEMBL30182423 0.85 MAPT (0.69) SMN1; SMN2MEN1KMT2ACYP2C19NAMPT
SCHEMBL24891654 0.84 NAMPT (0.67) SMN1; SMN2MEN1KMT2ANAMPTMAPT
SCHEMBL5184275 0.83 MAPT (0.57) SMN1; SMN2MEN1KMT2ACYP2C19MAPT
SCHEMBL27713995 0.83 MAPT (0.47) SMN1; SMN2MEN1KMT2AMAPTHTT

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
EP-1799663-B1 Modulators of HCV replication ANGELETTI P IST RICHERCHE BIO (IT) 2012-08-01 EP claimed
US-8012982-B2 Modulators of HCV replication ISTITUTO DI RICERCHE BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-09-06 US claimed
US-20090069344-A1 Modulators of hcv replication ISTITUTO DI RICERCHE BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-03-12 US claimed
EP-1799663-B1 Modulators of HCV replication ANGELETTI P IST RICHERCHE BIO (IT) 2012-08-01 EP disclosed
US-8012982-B2 Modulators of HCV replication ISTITUTO DI RICERCHE BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-09-06 US disclosed
US-20090069344-A1 Modulators of hcv replication ISTITUTO DI RICERCHE BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-03-12 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 (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-20090069344-A1 Modulators of hcv replication EIF2AK2, IRF3, IFNAR1 SMN1; SMN2 4644/4885MEN1 4857/4885KMT2A 3871/4885

“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.