SCHEMBL5871116

SCHEMBL5871116

CC(C)(C)OC(=O)N1CCC[C@H](CNc2ccccc2)C1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.67
KDM1A O60341 1/20 0.56
USP30 Q70CQ3 2/20 0.54
HTR6 P50406 7/20 0.54
BCHE P06276 4/20 0.54
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
IRAK1 P51617 1/20 0.51
NAMPT P43490 1/20 0.50
KAT7 O95251 1/20 0.49
KAT8 Q9H7Z6 1/20 0.49
GPR119 Q8TDV5 1/20 0.49
TGFBR1 P36897 1/20 0.48

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
SCHEMBL5870792 1.00 ACKR3 (0.67) ACKR3KDM1AUSP30HTR6BCHE
SCHEMBL21605820 0.89 ACKR3 (0.57) ACKR3KDM1AHTR6BCHEIRAK1
SCHEMBL16333276 0.89 ACKR3 (0.57) ACKR3KDM1AHTR6BCHEIRAK1
SCHEMBL5870872 0.89 ACKR3 (0.57) ACKR3KDM1AUSP30HTR6BCHE
SCHEMBL21605819 0.89 ACKR3 (0.57) ACKR3KDM1AHTR6BCHEIRAK1
SCHEMBL5870674 0.88 NAMPT (0.62) ACKR3USP30KDM4EPKMNAMPT
SCHEMBL5870688 0.87 ACKR3 (0.54) ACKR3KDM1AUSP30HTR6BCHE
SCHEMBL3087666 0.85 KDM4E (0.70) KDM1AKDM4EPKMGPR119TGFBR1
SCHEMBL19378006 0.85 ACKR3 (0.53) ACKR3KDM1AUSP30HTR6BCHE
SCHEMBL5870922 0.84 ACKR3 (0.58) ACKR3KDM1AUSP30HTR6BCHE

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
EP-1187810-A2 HETEROCYCLIC ANALGESIC COMPOUNDS AND THEIR USE SEPRACOR, INC. (US) 2002-03-20 EP disclosed
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof SEPRACOR INC. 2002-02-07 US disclosed
WO-2000071518-A2 HETEROCYCLIC ANALGESIC COMPOUNDS AND THEIR USE SEPRACOR, INC. (US) 2000-11-30 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 ACKR3 248/4885KDM1A 4501/4885USP30 3782/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 ACKR3 248/4885KDM1A 4501/4885USP30 3782/4885

“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.