SCHEMBL5639896

SCHEMBL5639896

O=C(O)C1CN(Cc2ccccc2)CCN(Cc2ccccc2)C1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 10/20 0.76
S1PR1 P21453 5/20 0.76
SIGMAR1 Q99720 1/20 0.59
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 1/20 0.57
CYP2D6 P10635 1/20 0.56
AGTR2 P50052 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL565212 0.93 S1PR5 (0.87) S1PR5S1PR1
SCHEMBL16301219 0.90 S1PR5 (0.77) S1PR5S1PR1KDM4EALDH1A1HPGD
SCHEMBL250506 0.90 S1PR5 (0.77) S1PR5S1PR1KDM4EALDH1A1HPGD
SCHEMBL9037650 0.90 S1PR5 (0.77) S1PR5S1PR1KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL892740 0.88 S1PR5 (0.75) S1PR5S1PR1KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL893221 0.88 S1PR5 (0.75) S1PR5S1PR1KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL892739 0.88 S1PR5 (0.75) S1PR5S1PR1KDM4EALDH1A1HPGD
SCHEMBL3844177 0.87 ALDH1A1 (0.71) S1PR5S1PR1KDM4EALDH1A1HPGD
SCHEMBL18125935 0.87 ALDH1A1 (0.71) S1PR5S1PR1KDM4EALDH1A1HPGD
SCHEMBL8318203 0.86 GAA (0.58) S1PR5S1PR1SIGMAR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912997-B2 RNAi agents for inhibiting expression of Superoxide Dismutase 1 (SOD1), compositions thereof, and methods of use Arrowhead Pharmaceuticals, Inc. (US) 2024-02-27 US disclosed
US-11912997-B2 RNAi agents for inhibiting expression of Superoxide Dismutase 1 (SOD1), compositions thereof, and methods of use Arrowhead Pharmaceuticals, Inc. (US) 2024-02-27 US disclosed
US-20240026363-A1 RNAi Agents for Inhibiting Expression of Superoxide Dismutase 1 (SOD1), Compositions Thereof, and Methods of Use SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2024-01-25 US disclosed
US-20240026363-A1 RNAi Agents for Inhibiting Expression of Superoxide Dismutase 1 (SOD1), Compositions Thereof, and Methods of Use SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2024-01-25 US disclosed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US disclosed
EP-1561752-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2005-08-10 EP disclosed
EP-1301187-B1 PURINE-2,6-DIONES WHICH ARE INHIBITORS OF THE ENZYME DIPEPTIDYL PEPTIDASE IV (DPP-IV) NOVO NORDISK AS (DK) 2005-07-06 EP disclosed
US-20040034014-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV KANSTRUP ANDERS BENDTZ (DK) 2004-02-19 US disclosed
US-20020161001-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2002-10-31 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-11912997-B2 RNAi agents for inhibiting expression of Superoxide Dismutase 1 (SOD1), compositions thereof, and methods of use SOD1, SOD3, SMN1; SMN2 S1PR5 3642/4885S1PR1 2636/4885SIGMAR1 2265/4885
US-20040034014-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 S1PR5 4780/4885S1PR1 4859/4885SIGMAR1 3685/4885
US-20240026363-A1 RNAi Agents for Inhibiting Expression of Superoxide Dismutase 1 (SOD1), Compositions Thereof, and Methods of Use SOD1, SOD3, SMN1; SMN2 S1PR5 3620/4885S1PR1 2615/4885SIGMAR1 2242/4885
US-20020161001-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 S1PR5 4780/4885S1PR1 4859/4885SIGMAR1 3685/4885

“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.