SCHEMBL6217205

SCHEMBL6217205

OC1C2(CCCCC2)[C@]1(O)CN1CCN(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTR1A P08908 3/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
HTR7 P34969 1/20 0.43
CHRNA7 P36544 1/20 0.43
DRD4 P21917 1/20 0.42
KCNH2 Q12809 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
DRD2 P14416 2/20 0.41
TSHR P16473 1/20 0.41
GFER P55789 1/20 0.41
MAPT P10636 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SLC18A3 Q16572 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
SCHEMBL6217147 1.00 MEN1 (0.46) MEN1KMT2AHTR1AADRA1AADRA1B
SCHEMBL6216542 0.99 MEN1 (0.47) MEN1KMT2AHTR1AADRA1AADRA1B
SCHEMBL6219114 0.99 MEN1 (0.47) MEN1KMT2AHTR1AADRA1AADRA1B
Maleic Acid SCHEMBL6583290 0.92 HTR7 (0.43) MEN1KMT2AHTR1AADRA1AADRA1B
Fumaric Acid SCHEMBL6581608 0.92 HTR7 (0.43) MEN1KMT2AHTR1AADRA1AADRA1B
Fumaric Acid SCHEMBL6580691 0.92 HTR7 (0.43) MEN1KMT2AHTR1AADRA1AADRA1B
Cadaverine Tartrate SCHEMBL6218477 0.91 MEN1 (0.42) MEN1KMT2AHTR1AADRA1AADRA1B
Cadaverine Tartrate SCHEMBL6217849 0.89 MEN1 (0.43) MEN1KMT2AHTR1AADRA1AADRA1B
SCHEMBL6216227 0.80 CHRNA7 (0.51) MEN1KMT2AHTR1AHTR7CHRNA7
SCHEMBL6217908 0.80 CHRNA7 (0.51) MEN1KMT2AHTR1AHTR7CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6835734-B2 (S)-3-(4-Phenyl-1-piperazinyl)-1,2-propanediol cyclic acetals, useful as intermediates for the preparation of levodropropizine Dompé S.p.A. (IT) 2004-12-28 US claimed
EP-1307441-B1 1,3-DIOXOLANES WITH ANTITUSSIVE ACTIVITY DOMPE SPA (IT) 2004-05-06 EP claimed
US-20040038989-A1 1,3-dioxolanes with antitussive activity DOMPÉ FARMACEUTICI S.P.A. (IT) 2004-02-26 US claimed
US-6916926-B2 Process for the preparation of (±) 1-3-dioxolanes and the optical resolution thereof DOMPE S.P.A. (IT) 2005-07-12 US disclosed
EP-1307440-B1 2,2-DISUBSTITUTED 1,3-DIOXOLANES AS ANTITUSSIVE AGENTS DOMPE SPA (IT) 2005-03-09 EP disclosed
US-6835734-B2 (S)-3-(4-Phenyl-1-piperazinyl)-1,2-propanediol cyclic acetals, useful as intermediates for the preparation of levodropropizine Dompé S.p.A. (IT) 2004-12-28 US disclosed
EP-1307441-B1 1,3-DIOXOLANES WITH ANTITUSSIVE ACTIVITY DOMPE SPA (IT) 2004-05-06 EP disclosed
US-20040038989-A1 1,3-dioxolanes with antitussive activity DOMPÉ FARMACEUTICI S.P.A. (IT) 2004-02-26 US disclosed
US-20030176446-A1 2,2-disubstituted 1,3-dioxolanes as antitussive agents DOMPÉ FARMACEUTICI S.P.A. (IT) 2003-09-18 US disclosed
EP-1307440-A1 2,2-DISUBSTITUTED 1,3-DIOXOLANES AS ANTITUSSIVE AGENTS Dompe' S.P.A. (IT) 2003-05-07 EP disclosed
EP-1307441-A1 1,3-DIOXOLANES WITH ANTITUSSIVE ACTIVITY Dompe' S.P.A. (IT) 2003-05-07 EP disclosed
WO-2002010149-A1 1,3-DIOXOLANES WITH ANTITUSSIVE ACTIVITY DOMPE' S.P.A. (IT) 2002-02-07 WO disclosed
WO-2002010150-A1 2,2-DISUBSTITUTED 1,3-DIOXOLANES AS ANTITUSSIVE AGENTS DOMPE' S.P.A. (IT) 2002-02-07 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-20030176446-A1 2,2-disubstituted 1,3-dioxolanes as antitussive agents ADRB2, QDPR, ADRB3 MEN1 3563/4885KMT2A 4307/4885HTR1A 224/4885
US-20040038989-A1 1,3-dioxolanes with antitussive activity ADRA1D, QDPR, PDE3A MEN1 2068/4885KMT2A 4384/4885HTR1A 750/4885

“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.