SCHEMBL22757235

SCHEMBL22757235

CCn1cc(CCN(C)CCOC)ccc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
SLC6A2 P23975 1/20 0.36
SRC P12931 1/20 0.36
SMPD1 P17405 3/20 0.35
CACNA1F O60840 1/20 0.35
CHRM2 P08172 1/20 0.35
ACHE P22303 1/20 0.35
AGTR1 P30556 1/20 0.35
DRD3 P35462 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35

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
SCHEMBL21476001 0.80 KCNH2 (0.38) KCNH2CYP1A2CYP3A4CYP2D6SIGMAR1
SCHEMBL21484163 0.78 SIGMAR1 (0.33) SIGMAR1SLC6A4SLC6A3SMPD1HTR6
SCHEMBL27369130 0.73 MGLL (0.43) SIGMAR1
SCHEMBL12217560 0.69 CREBBP (0.42)
SCHEMBL14566198 0.69 SLC6A2 (0.58) KCNH2CYP1A2CYP3A4CYP2D6SIGMAR1
SCHEMBL15806390 0.69 KCNH2 (0.59) KCNH2SIGMAR1SLC6A4SLC6A3SLC6A2
SCHEMBL20356771 0.68 ATR (0.38)
SCHEMBL14410448 0.66 LTA4H (0.49) SIGMAR1
SCHEMBL24665804 0.64 CREBBP (0.38) BLMPMP22
SCHEMBL24614041 0.64 KCNH2 (0.44) KCNH2CYP1A2CYP3A4CYP2D6SIGMAR1

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-11174228-B2 Antagonists of human integrin (α4)(β7) MORPHIC THERAPEUTIC, INC. (US) 2021-11-16 US disclosed
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2020-12-10 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-11174228-B2 Antagonists of human integrin (α4)(β7) ITGB7, ITGB4, ITGA4 KCNH2 1942/4885CYP1A2 4579/4885CYP3A4 2115/4885
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 KCNH2 1868/4885CYP1A2 4261/4885CYP3A4 1074/4885

“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.