SCHEMBL93066

SCHEMBL93066

FC1(F)Oc2ccc(COC3CCCCO3)cc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.41
DRD4 P21917 1/20 0.40
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
KDM4C Q9H3R0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP19A1 P11511 1/20 0.35
PDE2A O00408 2/20 0.35
SMYD3 Q9H7B4 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RXRA P19793 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CREBBP Q92793 2/20 0.34

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
SCHEMBL79337 0.77 GRM5 (0.41) DRD4HCRTR1HCRTR2KDM4CL3MBTL1
SCHEMBL16238061 0.76 MEN1 (0.38) DRD4ICAM1SELEMRGPRX4KDM4C
SCHEMBL3999018 0.75 ICAM1 (0.42) ICAM1SELEKDM4CL3MBTL1MEN1
SCHEMBL1705151 0.74 L3MBTL1 (0.38) SLC6A4DRD4ICAM1SELEKDM4C
SCHEMBL16237724 0.74 RECQL (0.32) KDM4CL3MBTL1RXRAGRIN1GRIN2B
SCHEMBL12093253 0.74 SLC6A4 (0.45) SLC6A4DRD4MRGPRX4HCRTR1HCRTR2
SCHEMBL1704760 0.74 L3MBTL1 (0.40) ICAM1SELEKDM4CL3MBTL1MEN1
SCHEMBL92906 0.74 DRD4 (0.47) SLC6A4DRD4ICAM1SELEKDM4C
SCHEMBL4317051 0.73 ICAM1 (0.45) ICAM1SELEKDM4CL3MBTL1MEN1
SCHEMBL10214541 0.73 L3MBTL1 (0.47) DRD4KDM4CL3MBTL1TACR1

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-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 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 (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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C SLC6A4 45/4885DRD4 599/4885ICAM1 2212/4885

“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.