SCHEMBL7164271

SCHEMBL7164271

CCN(CC)CCOCCC1CCCC1(C(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.54
CHRM1 P11229 8/20 0.54
ALDH1A1 P00352 5/20 0.54
LMNA P02545 3/20 0.54
CYP1A2 P05177 3/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2D6 P10635 3/20 0.54
TSHR P16473 3/20 0.54
PRCP P42785 2/20 0.54
SIGMAR1 Q99720 2/20 0.54
KDM4E B2RXH2 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
SLC22A1 O15245 1/20 0.54
THRB P10828 1/20 0.54
HTT P42858 1/20 0.54
TMEM97 Q5BJF2 1/20 0.54
DRD3 P35462 2/20 0.50
POLB P06746 1/20 0.48
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46

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
SCHEMBL9330574 0.97 CHRM2 (0.55) CHRM2CHRM1ALDH1A1LMNACYP1A2
SCHEMBL7629979 0.79 SLC6A2 (0.38) CYP2D6SLC6A2SLC6A3
SCHEMBL18261095 0.77 PRCP (0.48) CHRM2CHRM1ALDH1A1LMNACYP1A2
SCHEMBL6660824 0.76 SLC6A2 (0.43) LMNACYP2D6KDM4EHTTSLC6A2
SCHEMBL11217551 0.76 CHRM2 (0.37) CHRM2CHRM1SIGMAR1TMEM97
SCHEMBL4661013 0.75 SLC6A2 (0.44) LMNACYP2D6SIGMAR1HTTSLC6A2
Hydrochloric Acid SCHEMBL4021178 0.74 SLC6A2 (0.43) LMNACYP2D6SIGMAR1KDM4EHTT
SCHEMBL28838197 0.73 AKR1C1 (0.45) CYP2D6KDM4ESLC6A2OPRM1SLC6A3
SCHEMBL67880 0.72 PRCP (0.54) CHRM2CHRM1ALDH1A1LMNACYP1A2
SCHEMBL8112597 0.72 SLC6A2 (0.43) LMNACYP2D6SIGMAR1HTTSLC6A2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3104847-B1 NOVEL USE OF SIGMA-1 RECEPTOR AGONIST COMPOUNDS MTA TAMOGATOTT KUTATOCSOPORTOK IRODAJA (HU) 2020-11-11 EP claimed
CN-106456578-B Use of SIGMA-1 receptor agonist compounds 匈牙利科学院大学及其他机构附属研究所 2020-02-18 CN claimed
EP-3104847-A1 NOVEL USE OF SIGMA-1 RECEPTOR AGONIST COMPOUNDS Mta Támogatott Kutatócsoportok Irodája (HU) 2016-12-21 EP claimed
US-20160346290-A1 NOVEL USE OF SIGMA-1 RECEPTOR AGONIST COMPOUNDS TÁMOGATOTT KUTATÓCSOPORTOK IRODÁJA (HU) 2016-12-01 US claimed
WO-2015118365-A1 NOVEL USE OF SIGMA-1 RECEPTOR AGONIST COMPOUNDS MTA TÁMOGATOTT KUTATÓCSOPORTOK IRODÁJA (HU) 2015-08-13 WO claimed
CN-106456578-B Use of SIGMA-1 receptor agonist compounds 匈牙利科学院大学及其他机构附属研究所 2020-02-18 CN disclosed
US-6566396-B2 Carbetapentane tannate and chlorpheniramine tannate which are effective when administered orally for the symptomatic relief of coryza associated with the common cold, sinusitis, allergic rhinitis, and unproductive cough MEDPOINTE HEALTHCARE INC. 2003-05-20 US disclosed
US-6455727-B1 Process for preparing carbetapentane tannate JAME FINE CHEMICALS, INC. 2002-09-24 US disclosed
US-20020099021-A1 Antitussive/antihistaminic compositions CARTER-WALLACE, INC. 2002-07-25 US disclosed
US-20010011104-A1 ANTIHISTAMINE COMPOSITIONS MEDPOINTE HEALTHCARE INC. 2001-08-02 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 (1 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-20160346290-A1 NOVEL USE OF SIGMA-1 RECEPTOR AGONIST COMPOUNDS SIGMAR1, TMEM97, OPRL1 CHRM2 132/4885CHRM1 94/4885ALDH1A1 881/4885

“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.