SCHEMBL31036611

SCHEMBL31036611

CCN(CCOCc1ccccc1)CCN(CCO)CCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
DRD1 P21728 2/20 0.44
DRD3 P35462 2/20 0.44
KCNH2 Q12809 2/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CHRM1 P11229 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRM1 P35372 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
HTT P42858 2/20 0.43
LTA4H P09960 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
DRD2 P14416 1/20 0.41

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
SCHEMBL12531323 0.97 DRD1 (0.46) TSHRDRD1DRD3KCNH2CHRM2
SCHEMBL31036708 0.91 KCNH2 (0.49) TSHRDRD1DRD3KCNH2CHRM2
SCHEMBL2332155 0.91 TSHR (0.56) TSHRHTTHSD17B10KDM4ELMNA
SCHEMBL28428860 0.91 TSHR (0.56) TSHRHTTHSD17B10KDM4ELMNA
SCHEMBL31036597 0.90 KCNH2 (0.47) TSHRDRD1DRD3KCNH2CHRM2
SCHEMBL12013320 0.87 TSHR (0.52) TSHRHTTHSD17B10KDM4ELMNA
SCHEMBL2431466 0.85 CYP1A2 (0.56) TSHRDRD1DRD3KCNH2CHRM2
SCHEMBL10622030 0.83 HTT (0.49) TSHROPRM1HTTHSD17B10KDM4E
SCHEMBL31036634 0.83 DRD3 (0.47) TSHRDRD1DRD3KCNH2CHRM2
SCHEMBL13136746 0.80 TSHR (0.56) TSHRDRD1DRD3OPRM1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4682138-A1 COMPOUND OR SALT THEREOF, LIPID COMPOSITION, PHARMACEUTICAL COMPOSITION, AND DELIVERY CARRIER FUJIFILM Corporation (JP) 2026-01-21 EP disclosed
US-20260001834-A1 COMPOUND OR SALT THEREOF, LIPID COMPOSITION, PHARMACEUTICAL COMPOSITION, AND DELIVERY CARRIER FUJIFILM CORPORATION (JP) 2026-01-01 US disclosed
WO-2024190817-A1 COMPOUND OR SALT THEREOF, LIPID COMPOSITION, PHARMACEUTICAL COMPOSITION, AND DELIVERY CARRIER 富士フイルム株式会社 2024-09-19 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 (1 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-20260001834-A1 COMPOUND OR SALT THEREOF, LIPID COMPOSITION, PHARMACEUTICAL COMPOSITION, AND DELIVERY CARRIER NSUN3, NPC1L1, TLR9 TSHR 2292/4885DRD1 2121/4885DRD3 2499/4885

“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.