SCHEMBL2276124

SCHEMBL2276124

CC(C)(C)N(CC1CCN(CCCl)C1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.34
ARG2 P78540 1/20 0.34
CYP2D6 P10635 2/20 0.33
CACNA1H O95180 1/20 0.33
KCNH2 Q12809 1/20 0.33
OPRM1 P35372 2/20 0.32
ACHE P22303 3/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
PKM P14618 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
HIF1A Q16665 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
CCR5 P51681 1/20 0.32
MEN1 O00255 1/20 0.32
GMNN O75496 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4397749 0.79 ACHE (0.53) OPRM1ACHE
SCHEMBL1430766 0.77 PRMT3 (0.40) OPRM1CARM1PRMT6CCR5
SCHEMBL1700057 0.75 NR1D1 (0.38)
SCHEMBL3839394 0.74 TP53 (0.37) CYP2D6KCNH2OPRM1TP53CYP1A2
SCHEMBL1428058 0.73 BCHE (0.32) ACHE
SCHEMBL1700049 0.73 POLB (0.38) TP53ALDH1A1
SCHEMBL16292529 0.73 ALOX5 (0.39) PKMMEN1ALDH1A1LMNATHRB
SCHEMBL6070645 0.72 DPP4 (0.32) PKM
SCHEMBL1975460 0.72 ALDH1A1 (0.33) OPRM1ACHEALDH1A1
SCHEMBL3679202 0.72 SIGMAR1 (0.42) CYP2D6OPRM1TP53CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989438-B2 Therapeutic compounds ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-02 US disclosed
EP-2178885-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-04-28 EP disclosed
US-20090048239-A1 Therapeutic compounds MSD ITALIA S.R.L. (IT) 2009-02-19 US disclosed
WO-2009010783-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-01-22 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 (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-20090048239-A1 Therapeutic compounds RRP1B, RCE1, CTSZ ARG1 2854/4885ARG2 2460/4885CYP2D6 203/4885

“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.