SCHEMBL5870833

SCHEMBL5870833

CC(C)(C)OC(=O)N1CCCC(CCCCC(=O)Nc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.51
ACKR3 P25106 1/20 0.51
GPR119 Q8TDV5 1/20 0.49
FPR3 P25089 1/20 0.49
FPR2 P25090 1/20 0.49
GLS O94925 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
CYP3A4 P08684 1/20 0.47

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 0.93 USP30 (0.53) USP30ACKR3GPR119FPR3FPR2
SCHEMBL5870872 0.82 ACKR3 (0.57) USP30ACKR3GPR119FPR3FPR2
SCHEMBL5870835 0.82 USP30 (0.51) USP30ACKR3GPR119FPR3FPR2
SCHEMBL13777209 0.81 ACKR3 (0.53) USP30ACKR3GPR119GLSKDM1A
SCHEMBL5871116 0.80 ACKR3 (0.67) USP30ACKR3GPR119KDM1AHTR6
SCHEMBL5870792 0.80 ACKR3 (0.67) USP30ACKR3GPR119KDM1AHTR6
SCHEMBL27406245 0.79 ACKR3 (0.53) USP30ACKR3GPR119KMT2AKDM1A
SCHEMBL22983598 0.78 ACKR3 (0.51) USP30ACKR3GPR119KDM1AHTR6
SCHEMBL3358109 0.78 HTR6 (0.51) USP30ACKR3GPR119KDM1AHTR6
SCHEMBL3361572 0.78 HTR6 (0.51) USP30ACKR3GPR119KDM1AHTR6

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 248/4885GPR119 697/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 USP30 3782/4885ACKR3 248/4885GPR119 697/4885

“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.