SCHEMBL5870918

SCHEMBL5870918

CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.62
RIN1 Q13671 1/20 0.62
PTPN2 P17706 1/20 0.61
PTPN1 P18031 1/20 0.61
PTPN6 P29350 1/20 0.61
HPGD P15428 2/20 0.58
USP30 Q70CQ3 2/20 0.55
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
HTT P42858 1/20 0.53
GLA P06280 1/20 0.52
RXRA P19793 1/20 0.52
RXRB P28702 1/20 0.52
RXRG P48443 1/20 0.52
MAPK8 P45983 1/20 0.52
MAPK10 P53779 1/20 0.52
MAPK14 Q16539 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL3715390 1.00 ABL1 (0.62) ABL1RIN1PTPN2PTPN1PTPN6
SCHEMBL29971632 0.93 PTPN2 (0.71) ABL1RIN1PTPN2PTPN1PTPN6
SCHEMBL29686111 0.93 PTPN2 (0.71) ABL1RIN1PTPN2PTPN1PTPN6
SCHEMBL1317618 0.93 PTPN2 (0.71) ABL1RIN1PTPN2PTPN1PTPN6
SCHEMBL30736252 0.88 ABL1 (0.63) ABL1RIN1PTPN2PTPN1PTPN6
SCHEMBL193294 0.88 RAB9A (0.65) ABL1RIN1PTPN2PTPN1PTPN6
SCHEMBL193295 0.88 RAB9A (0.65) ABL1RIN1PTPN2PTPN1PTPN6
SCHEMBL889057 0.88 ABL1 (0.63) ABL1RIN1PTPN2PTPN1PTPN6
SCHEMBL30736248 0.88 ABL1 (0.63) ABL1RIN1PTPN2PTPN1PTPN6
SCHEMBL17729048 0.88 ALDH1A1 (0.63) ABL1RIN1PTPN2PTPN1PTPN6

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 15 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-6872716-B2 Antipsychotic sulfonamide-heterocycles, and methods of use thereof SEPRACOR, INC. (US) 2005-03-29 US disclosed
US-20040235832-A1 ANTIPSYCHOTIC SULFONAMIDE-HETEROCYCLES, AND METHODS OF USE THEREOF WU XINHE (US) 2004-11-25 US disclosed
US-20040209846-A1 Heterocyclic analgesic compounds and methods of use thereof CUNY GREGORY D (US) 2004-10-21 US disclosed
US-6703383-B2 HETEROCYCLIC COMPOUNDS COMPRISING A SULFONAMIDE GROUP TO TREAT DISEASES SUCH AS PSYCHOLOGICAL DISORDERS CAUSED BY ONE OR MORE PROTEIN-G COUPLED RECEPTORS OR LIGAND -GATED ION CHANNELS SEPRACOR, INC. 2004-03-09 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-20020065265-A1 Antipsychotic sulfonamide-heterocycles, and methods of use thereof SEPRACOR INC. 2002-05-30 US disclosed
WO-2002022579-A2 ANTIPSYCHOTIC SULFONAMIDE-HETEROCYCLES, AND METHODS OF USE THEREOF SEPRACOR, INC. (US) 2002-03-21 WO 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-2001092226-A1 HETEROCYCLIC ANALGESIC COMPOUNDS AND METHOD OF USE THEREOF SEPRACOR, INC. (US) 2001-12-06 WO 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 (4 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 ABL1 3022/4885RIN1 3828/4885PTPN2 3237/4885
US-20020065265-A1 Antipsychotic sulfonamide-heterocycles, and methods of use thereof TRPV1, CNR2, TRPM5 ABL1 1154/4885RIN1 1647/4885PTPN2 1131/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 ABL1 3022/4885RIN1 3828/4885PTPN2 3237/4885
US-20040235832-A1 ANTIPSYCHOTIC SULFONAMIDE-HETEROCYCLES, AND METHODS OF USE THEREOF TRPV1, CNR2, TRPM5 ABL1 1154/4885RIN1 1647/4885PTPN2 1131/4885

“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.