SCHEMBL13181192

SCHEMBL13181192

Cn1cc(OCCN2CCOCC2)ccc1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ CA12 O43570 1/20 0.56
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ CA7 P43166 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CHRM2 P08172 1/20 0.55
▸ CHRM1 P11229 1/20 0.55
▸ HTR2A P28223 1/20 0.55
▸ SCN1A P35498 1/20 0.55
▸ HTR2B P41595 1/20 0.55
▸ KCNH2 Q12809 1/20 0.55
▸ SCN2A Q99250 1/20 0.55
▸ SIGMAR1 Q99720 1/20 0.55
▸ SCN3A Q9NY46 1/20 0.55

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
SCHEMBL13181193 0.85 MAPK14 (0.62) KDM4EKCNH2HRH3LTA4H
SCHEMBL13153193 0.84 MEN1 (0.53) GAASMN1; SMN2CA12CA1CA2
SCHEMBL82383 0.77 ALDH1A1 (0.67) GAASMN1; SMN2CA12CA1CA2
SCHEMBL29508217 0.77 ALDH1A1 (0.88) GAASMN1; SMN2CA12CA1CA2
SCHEMBL14577989 0.77 NPC1 (0.69) GAASMN1; SMN2CA12CA1CA2
SCHEMBL28992542 0.76 TSHR (0.83) GAASMN1; SMN2CA12CA1CA2
SCHEMBL21476017 0.75 SIGMAR1 (0.53) SMN1; SMN2ALDH1A1SIGMAR1HRH3NPC1
SCHEMBL4485540 0.75 LTA4H (0.69) GAASMN1; SMN2CA12CA1CA2
SCHEMBL5214906 0.75 CA12 (0.63) GAASMN1; SMN2CA12CA1CA2
SCHEMBL4455251 0.74 ALDH1A1 (0.92) GAASMN1; SMN2CA12CA1CA2

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-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 — — US disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 — — 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-20070185092-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 GAA 386/4885SMN1; SMN2 3245/4885CA12 487/4885
US-20100234352-A1 FACTOR XA INHIBITORS TFPI, F12, F11 GAA 386/4885SMN1; SMN2 3245/4885CA12 487/4885

“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.

Send feedback