SCHEMBL6898381

SCHEMBL6898381

CON=C(Nc1cc(C)c(C)cc1OC)N1CCN(c2ccc(C)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 4/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 1/20 0.44
ACHE P22303 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
BACE1 P56817 1/20 0.41
RBP4 P02753 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6899041 0.90 CYP3A4 (0.52) CYP3A4CYP2C19LMNAALDH1A1MAPT
SCHEMBL6897464 0.90 CYP3A4 (0.42) CYP3A4CYP2C19LMNAALDH1A1MAPT
SCHEMBL6674132 0.83 CYP3A4 (0.47) CYP3A4CYP2C19LMNAALDH1A1MAPT
SCHEMBL6782760 0.82 CYP3A4 (0.66) CYP3A4CYP2C19LMNAALDH1A1MAPT
SCHEMBL6897563 0.81 KMT2A (0.52) CYP3A4CYP2C19LMNAALDH1A1MAPT
SCHEMBL6898814 0.79 CYP3A4 (0.42) CYP3A4CYP2C19LMNAALDH1A1MAPT
SCHEMBL6898372 0.78 CYP3A4 (0.47) CYP3A4CYP2C19LMNAALDH1A1MAPT
SCHEMBL6896916 0.75 ALDH1A1 (0.40) CYP3A4CYP2C19LMNAALDH1A1MAPT
SCHEMBL6896729 0.74 KMT2A (0.52) LMNAALDH1A1MAPTNPSR1NPC1
SCHEMBL6897989 0.74 KMT2A (0.41) CYP3A4CYP2C19LMNAALDH1A1MAPT

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-6683184-B2 ANTITUMOR AGENTS SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2004-01-27 US disclosed
US-20030092910-A1 Piperazine derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2003-05-15 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-20030092910-A1 Piperazine derivatives and process for the preparation thereof CBR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS CYP3A4 339/4885CYP2C19 1186/4885LMNA 3343/4885

“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.