SCHEMBL5870835

SCHEMBL5870835

CC(CCC1CCCN(C(=O)OC(C)(C)C)C1)C(=O)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.51
ACKR3 P25106 1/20 0.51
FPR3 P25089 1/20 0.49
FPR2 P25090 1/20 0.49
KLK7 P49862 1/20 0.47
GPR119 Q8TDV5 2/20 0.47
KDM1A O60341 1/20 0.47
HTR6 P50406 5/20 0.45
BCHE P06276 4/20 0.45
KAT7 O95251 1/20 0.45
KAT8 Q9H7Z6 1/20 0.45
CYP2C9 P11712 1/20 0.45
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
GLS O94925 1/20 0.44

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
SCHEMBL31227478 0.85 USP30 (0.53) USP30ACKR3FPR3FPR2KLK7
SCHEMBL5870872 0.82 ACKR3 (0.57) USP30ACKR3FPR3FPR2GPR119
SCHEMBL5870833 0.82 USP30 (0.51) USP30ACKR3FPR3FPR2KLK7
SCHEMBL5870792 0.80 ACKR3 (0.67) USP30ACKR3GPR119KDM1AHTR6
SCHEMBL5871116 0.80 ACKR3 (0.67) USP30ACKR3GPR119KDM1AHTR6
SCHEMBL5870827 0.80 USP30 (0.52) USP30ACKR3FPR3FPR2GPR119
SCHEMBL12539346 0.78 CCR2 (0.65) USP30ACKR3
SCHEMBL27406245 0.77 ACKR3 (0.53) USP30ACKR3GPR119KDM1AHTR6
SCHEMBL13777209 0.77 ACKR3 (0.53) USP30ACKR3GPR119KDM1AHTR6
SCHEMBL3715390 0.76 ABL1 (0.62) USP30GPR119

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 7 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
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 USP30 3782/4885ACKR3 248/4885FPR3 125/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 USP30 3782/4885ACKR3 248/4885FPR3 125/4885

“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.