SCHEMBL6777801

SCHEMBL6777801

O=C(CCc1cccnc1)NCCCCC1CCCCN1C1c2ccccc2COc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.41
TBXAS1 P24557 2/20 0.40
C3AR1 Q16581 3/20 0.39
PTAFR P25105 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ACHE P22303 1/20 0.37
ROCK2 O75116 2/20 0.37
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL3088918 0.86 LMNA (0.46) LMNAALDH1A1TBXAS1C3AR1PTAFR
SCHEMBL6163043 0.81 ALDH1A1 (0.43) LMNAALDH1A1TBXAS1C3AR1PTAFR
SCHEMBL6268837 0.78 ACHE (0.46) LMNAALDH1A1TBXAS1C3AR1PTAFR
SCHEMBL87991 0.72 LMNA (0.49) LMNAALDH1A1C3AR1PTAFRCYP1A2
SCHEMBL3077208 0.71 FNTA (0.47) ALDH1A1C3AR1PTAFRCYP1A2CYP3A4
SCHEMBL6482895 0.70 FNTA (0.47) ALDH1A1C3AR1PTAFRCYP1A2CYP3A4
SCHEMBL5394010 0.69 LMNA (0.50) LMNAALDH1A1PTAFRACHEMEN1
SCHEMBL83006 0.69 ACHE (0.57) LMNAPTAFRCYP1A2CYP3A4CYP2C9
SCHEMBL7672874 0.69 CHRNA7 (0.57) LMNAALDH1A1PTAFRCYP1A2CYP3A4
SCHEMBL6271049 0.69 OPRL1 (0.46) LMNAALDH1A1C3AR1PTAFRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029861-A1 Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression KLINGE PHARMA GMBH 2004-02-12 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-20040029861-A1 Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression ALK, IDO1, PDXK LMNA 3619/4885ALDH1A1 113/4885TBXAS1 1351/4885

“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.