SCHEMBL22402709

SCHEMBL22402709

CC(/C(=N/C1CCCCC1)NC1CCCCC1)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.44
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2D6 P10635 1/20 0.38
THPO P40225 1/20 0.38
PMP22 Q01453 1/20 0.38

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
SCHEMBL17608726 0.76 SIGMAR1 (0.57) SIGMAR1HTTMAPTKDM4ECYP3A4
SCHEMBL155224 0.73 CYP3A4 (0.57) SIGMAR1TSHRHTTMAPTKDM4E
SCHEMBL139932 0.73 CYP3A4 (0.57) SIGMAR1TSHRHTTMAPTKDM4E
SCHEMBL22402644 0.73 CYP3A4 (0.57) SIGMAR1TSHRHTTMAPTKDM4E
Hydrochloric Acid SCHEMBL11843455 0.72 CYP3A4 (0.59) SIGMAR1TSHRHTTMAPTKDM4E
Hydrochloric Acid SCHEMBL11847094 0.72 CYP3A4 (0.59) SIGMAR1TSHRHTTMAPTKDM4E
Hydrochloric Acid SCHEMBL11847097 0.72 CYP3A4 (0.59) SIGMAR1TSHRHTTMAPTKDM4E
Hydrochloric Acid SCHEMBL11847105 0.72 CYP3A4 (0.59) SIGMAR1TSHRHTTMAPTKDM4E
Hydrochloric Acid SCHEMBL11843450 0.72 CYP3A4 (0.59) SIGMAR1TSHRHTTMAPTKDM4E
SCHEMBL843570 0.70 KMT2A (0.61) TSHRHTTMAPTKDM4ENPSR1

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-11186606-B2 Compositions and methods of modulating the immune response by activating alpha protein kinase 1 SHANGHAI YAO YUAN BIOTECHNOLOGY CO., LTD. (CN) 2021-11-30 US disclosed
US-20200283468-A1 COMPOSITIONS AND METHODS OF MODULATING THE IMMUNE RESPONSE BY ACTIVATING ALPHA PROTEIN KINASE 1 LUMINEX INTERNATIONAL (CN) 2020-09-10 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-11186606-B2 Compositions and methods of modulating the immune response by activating alpha protein kinase 1 PHKA1, PHKA2, PRKCA SIGMAR1 3788/4885TSHR 2816/4885HTT 4845/4885
US-20200283468-A1 COMPOSITIONS AND METHODS OF MODULATING THE IMMUNE RESPONSE BY ACTIVATING ALPHA PROTEIN KINASE 1 PHKA1, PHKA2, PRKCA SIGMAR1 3788/4885TSHR 2816/4885HTT 4845/4885

“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.