SCHEMBL5523739

SCHEMBL5523739

O=C(Cc1ccccc1C(F)(F)F)O[C@H]1CCCC[C@@H]1N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ KCNA5 P22460 2/20 0.45
▸ SCN5A Q14524 2/20 0.45
▸ KDM4E B2RXH2 3/20 0.43
▸ SLC18A3 Q16572 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP2C9 P11712 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.41
▸ TACR1 P25103 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ AKR1C3 P42330 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ P2RX4 Q99571 1/20 0.38
▸ RBP4 P02753 1/20 0.37

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
SCHEMBL27498542 1.00 OPRM1 (0.49) OPRM1OPRK1KCNA5SCN5AKDM4E
SCHEMBL30117306 0.82 KCNA5 (0.65) OPRM1OPRK1KCNA5SCN5AKDM4E
Hydrochloric Acid SCHEMBL9068002 0.80 ALDH1A1 (0.51) OPRM1OPRK1KCNA5SCN5AKDM4E
SCHEMBL14436556 0.79 KCNA5 (0.67) KCNA5SCN5AKDM4EALDH1A1CYP2C9
SCHEMBL12391702 0.79 KCNA5 (0.67) KCNA5SCN5AKDM4EALDH1A1CYP2C9
SCHEMBL8918959 0.79 KCNA5 (0.67) KCNA5SCN5AKDM4EALDH1A1CYP2C9
SCHEMBL2624926 0.79 KCNA5 (0.67) KCNA5SCN5AKDM4EALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL1762321 0.78 KCNA5 (0.66) KCNA5SCN5AKDM4EALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL5949068 0.78 KCNA5 (0.66) KCNA5SCN5AKDM4EALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL1762340 0.78 KCNA5 (0.66) KCNA5SCN5AKDM4EALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130171077-A1 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP. (CA) 2013-07-04 — — US disclosed
US-20070190156-A1 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP. (CA) 2007-08-16 — — 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 (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-20130171077-A1 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF TRPV1, TRPA1, KCNN2 OPRM1 189/4885OPRK1 167/4885KCNA5 26/4885
US-20070190156-A1 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF TRPV1, TRPA1, KCNN2 OPRM1 189/4885OPRK1 167/4885KCNA5 26/4885

“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.

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