SCHEMBL5161501

SCHEMBL5161501

COC(=O)CCc1cnc(N2CCC[C@@H]2F)s1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.37
ALDH1A1 P00352 8/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
RPS6KB2 Q9UBS0 1/20 0.34
MAPK1 P28482 1/20 0.33
CHRNA7 P36544 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TMPRSS15 P98073 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
Hydrochloric Acid SCHEMBL5160932 0.99 HRH3 (0.36) HRH3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5418198 0.86 HRH3 (0.37) HRH3ALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5158984 0.85 HRH3 (0.36) HRH3ALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5424240 0.84 HRH3 (0.36) HRH3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5163534 0.84 SMN1; SMN2 (0.37) HRH3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5163233 0.84 HRH3 (0.35) HRH3ALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5163245 0.84 ADORA2A (0.42)
SCHEMBL5160259 0.84 HRH3 (0.36) HRH3ALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5161124 0.82 HRH3 (0.37) HRH3ALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5160752 0.82 HRH3 (0.37) HRH3ALDH1A1MEN1KMT2ASMN1; SMN2

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-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
EP-1757602-A1 VLA-4 INHIBITOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP 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-20070232601-A1 Vla-4 Inhibitor VCAM1, ITGB4, ITGA4 HRH3 468/4885ALDH1A1 471/4885MEN1 711/4885

“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.