SCHEMBL5870830

SCHEMBL5870830

CCC(=O)N(CCC1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.56
ACKR3 P25106 1/20 0.49
OPRM1 P35372 4/20 0.46
USP30 Q70CQ3 2/20 0.46
KAT7 O95251 1/20 0.45
KAT8 Q9H7Z6 1/20 0.45
CYP2C9 P11712 1/20 0.45
KDM1A O60341 1/20 0.45
BCHE P06276 2/20 0.43
HTR6 P50406 2/20 0.43
FEN1 P39748 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 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
SCHEMBL5870788 0.90 ACKR3 (0.50) ACHEACKR3USP30KAT7KAT8
SCHEMBL5870776 0.90 ACKR3 (0.50) ACHEACKR3USP30KAT7KAT8
SCHEMBL5871030 0.90 ACKR3 (0.50) ACHEACKR3USP30KAT7KAT8
SCHEMBL7695495 0.90 ACHE (0.46) ACHEACKR3OPRM1USP30KAT7
SCHEMBL7565654 0.90 ACHE (0.46) ACHEACKR3OPRM1USP30KAT7
SCHEMBL5870694 0.82 PTPRB (0.52) ACKR3USP30KAT7KAT8KDM1A
SCHEMBL5870863 0.81 NAMPT (0.48) ACHEOPRM1SIGMAR1JAK2JAK1
SCHEMBL5870690 0.80 ACKR3 (0.49) ACKR3OPRM1USP30KAT7KAT8
SCHEMBL5870951 0.79 OPRM1 (0.50) OPRM1USP30SIGMAR1JAK2JAK1
SCHEMBL5870764 0.79 OPRM1 (0.50) OPRM1USP30SIGMAR1JAK2JAK1

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
US-7129228-B2 Heterocyclic analgesic compounds and methods of use thereof SEPRACOR INC. (US) 2006-10-31 US disclosed
US-20040209846-A1 Heterocyclic analgesic compounds and methods of use thereof CUNY GREGORY D (US) 2004-10-21 US disclosed
US-6677332-B1 AMIDE-SUBSTITUTED PIPERIDINE OR AZEPINE DERIVATIVES TO TREAT DRUG ABUSE AND TINNITUS SEPRACOR, INC. 2004-01-13 US disclosed
US-6645980-B1 Ligands for biological receptors such as opiate receptors or G-protein coupled receptors used for treating pain, drug dependence or tinnitus in mammals SEPRACOR INC. 2003-11-11 US disclosed
US-6635661-B2 Piperidinyl amide compounds SEPRACOR INC. 2003-10-21 US disclosed
WO-2002069895-A2 HETEROCYCLIC ANALGESIC COMPOUNDS AND METHODS OF USE THEREOF SEPRACOR, INC. (US) 2002-09-12 WO disclosed
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof SEPRACOR INC. 2002-02-07 US disclosed
WO-2001092226-A1 HETEROCYCLIC ANALGESIC COMPOUNDS AND METHOD OF USE THEREOF SEPRACOR, INC. (US) 2001-12-06 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 (2 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-20040209846-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 ACHE 295/4885ACKR3 248/4885OPRM1 4/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 ACHE 295/4885ACKR3 248/4885OPRM1 4/4885

“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.