SCHEMBL5870939

SCHEMBL5870939

CC(C)(C)OC(=O)N1CCCC(CN(C(=O)c2cccs2)c2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.50
FEN1 P39748 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM1A O60341 1/20 0.42
USP30 Q70CQ3 3/20 0.41
RAB9A P51151 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
BCHE P06276 2/20 0.41
HTR6 P50406 2/20 0.41
KAT7 O95251 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
BACE1 P56817 2/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
CTSD P07339 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL5870694 0.82 PTPRB (0.52) ACKR3FEN1MEN1KMT2AKDM1A
SCHEMBL5870788 0.82 ACKR3 (0.50) ACKR3FEN1KDM1AUSP30BCHE
SCHEMBL5870776 0.82 ACKR3 (0.50) ACKR3FEN1KDM1AUSP30BCHE
SCHEMBL5871030 0.82 ACKR3 (0.50) ACKR3FEN1KDM1AUSP30BCHE
SCHEMBL5870671 0.81 ACKR3 (0.46) ACKR3MEN1KMT2AKDM1AUSP30
SCHEMBL5870690 0.81 ACKR3 (0.49) ACKR3FEN1KDM1AUSP30BCHE
SCHEMBL6500523 0.80 ACKR3 (0.52) ACKR3FEN1KDM1AUSP30GPR119
SCHEMBL6286686 0.80 FEN1 (0.47) ACKR3FEN1KMT2AKDM1AUSP30
SCHEMBL6287403 0.77 ACKR3 (0.50) ACKR3FEN1KDM1AUSP30BCHE
SCHEMBL5870830 0.75 ACHE (0.56) ACKR3FEN1KDM1AUSP30BCHE

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 6 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

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 248/4885FEN1 4872/4885MEN1 4530/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 ACKR3 248/4885FEN1 4872/4885MEN1 4530/4885

“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.