SCHEMBL2344239

SCHEMBL2344239

c1ccc(CN2CCCC3(CO3)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.56
CYP2D6 P10635 6/20 0.56
DRD2 P14416 1/20 0.51
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 4/20 0.49
TSHR P16473 3/20 0.49
USP2 O75604 1/20 0.48
GAA P10253 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
SCHEMBL6263041 0.97 SIGMAR1 (0.54) SIGMAR1CYP2D6DRD2ALDH1A1CYP3A4
SCHEMBL2342552 0.90 SIGMAR1 (0.55) SIGMAR1CYP2D6ALDH1A1CYP3A4TSHR
SCHEMBL18785016 0.84 SIGMAR1 (0.54) SIGMAR1CYP2D6DRD2ALDH1A1CYP3A4
SCHEMBL21254493 0.83 MGLL (0.58) SIGMAR1CYP2D6CYP3A4TSHR
SCHEMBL18785020 0.80 MGLL (0.56) SIGMAR1CYP2D6CYP3A4
SCHEMBL18785015 0.80 SIGMAR1 (0.51) SIGMAR1CYP2D6DRD2ALDH1A1CYP3A4
SCHEMBL18766512 0.80 SIGMAR1 (0.50) SIGMAR1CYP2D6DRD2ALDH1A1CYP3A4
SCHEMBL1966477 0.80 SIGMAR1 (0.61) SIGMAR1CYP2D6DRD2ALDH1A1CYP3A4
SCHEMBL8914175 0.79 SIGMAR1 (0.60) SIGMAR1CYP2D6DRD2CYP3A4TSHR
SCHEMBL18785257 0.79 SIGMAR1 (0.49) SIGMAR1CYP2D6DRD2ALDH1A1CYP3A4

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220409593-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS 2022-12-29 US disclosed
WO-2021081272-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2021-04-29 WO disclosed
EP-1568688-B1 THERAPEUTIC AGENT FOR RESPIRATORY DISEASE CONTAINING 4-HYDROXYPIPERIDINE DERIVATIVE AS ACTIVE INGREDIENT MOCHIDA PHARM CO LTD (JP) 2011-08-31 EP disclosed
US-7816375-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2010-10-19 US disclosed
US-7816375-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2010-10-19 US disclosed
US-7816375-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2010-10-19 US disclosed
US-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF AQUILA BRIAN M 2009-10-15 US disclosed
US-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF AQUILA BRIAN M 2009-10-15 US disclosed
US-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF AQUILA BRIAN M 2009-10-15 US disclosed
US-7517892-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2009-04-14 US disclosed
US-20030050309-A1 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. 2003-03-13 US disclosed
WO-2002069895-A2 HETEROCYCLIC ANALGESIC COMPOUNDS AND METHODS OF USE THEREOF SEPRACOR, INC. (US) 2002-09-12 WO disclosed
WO-2002022572-A2 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF (NEUROTRANSMISSION) 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
EP-0152236-B1 ARYLOXYMETHYLPYRROLIDINOLS AND PIPERIDINOLS HAVING ANTIDEPRESSANT, ANTIARHYTHMIC OR HYPOTENSIVE ACTIVITY A.H. ROBINS COMPANY, INCORPORATED (US) 1990-04-18 EP disclosed
EP-0152236-A2 Aryloxymethylpyrrolidinols and piperidinols having antidepressant, antiarhythmic or hypotensive activity A.H. ROBINS COMPANY, INCORPORATED (US) 1985-08-21 EP disclosed
US-4508724-A Aryloxymethylpyrrolidinols and piperidinols having antidepressant, antiarrhythmic or hypotensive activity A. H. ROBINS COMPANY, INC. (US) 1985-04-02 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 (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-20030050309-A1 Ligands for monoamine receptors and transporters, and methods of use thereof SLC6A2, OPRL1, SLC18A2 SIGMAR1 77/4885CYP2D6 549/4885DRD2 134/4885
US-20220409593-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME GRN, PSEN1, PSEN2 SIGMAR1 3357/4885CYP2D6 4593/4885DRD2 4454/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 SIGMAR1 40/4885CYP2D6 462/4885DRD2 450/4885
US-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF SLC6A2, OPRL1, SLC18A2 SIGMAR1 77/4885CYP2D6 549/4885DRD2 134/4885

“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.