SCHEMBL6745682

SCHEMBL6745682

O=CCc1cccc(C2CCN(C(=O)OCc3ccccc3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
CYP2C19 P33261 1/20 0.56
BCL9 O00512 1/20 0.53
CTNNB1 P35222 1/20 0.53
PDE4B Q07343 1/20 0.51
CHRM4 P08173 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GRIN2B Q13224 7/20 0.48
HTT P42858 1/20 0.48
CYP2D6 P10635 4/20 0.47
CYP2C9 P11712 4/20 0.47
JAK2 O60674 2/20 0.47
JAK1 P23458 2/20 0.47
TYK2 P29597 2/20 0.47
JAK3 P52333 2/20 0.47
USP30 Q70CQ3 1/20 0.46

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
SCHEMBL6749790 0.88 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19BCL9
SCHEMBL6749252 0.87 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19BCL9
SCHEMBL2384566 0.87 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19BCL9
SCHEMBL4035554 0.86 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ACYP2C19BCL9
SCHEMBL31198753 0.85 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19BCL9
SCHEMBL6752005 0.83 HTT (0.59) SMN1; SMN2NPC1RAB9ACYP2C19BCL9
SCHEMBL7502284 0.83 BCL9 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19BCL9
SCHEMBL12251452 0.81 BCL9 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19BCL9
SCHEMBL6749001 0.80 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL31198939 0.80 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19BCL9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 SMN1; SMN2 4491/4885NPC1 2875/4885RAB9A 1768/4885

“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.