SCHEMBL6747802

SCHEMBL6747802

COC(=O)Cc1ccc(C2CCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.58
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
CYP2C19 P33261 1/20 0.55
PDE4B Q07343 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CCR1 P32246 1/20 0.51
GRIN2B Q13224 3/20 0.50
CHRM4 P08173 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ENPP2 Q13822 2/20 0.48
POLB P06746 1/20 0.48
BCL9 O00512 1/20 0.48
CTNNB1 P35222 1/20 0.48

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
SCHEMBL6752005 0.89 HTT (0.59) HTTSMN1; SMN2RAB9ANPC1CYP2C19
SCHEMBL6745783 0.88 SMN1; SMN2 (0.62) HTTSMN1; SMN2RAB9ANPC1CYP2C19
SCHEMBL4035554 0.85 SMN1; SMN2 (0.72) HTTSMN1; SMN2RAB9ANPC1CYP2C19
SCHEMBL14710936 0.85 CCR1 (0.51) HTTSMN1; SMN2RAB9ANPC1CCR1
SCHEMBL8316392 0.85 SMN1; SMN2 (0.61) HTTSMN1; SMN2RAB9ANPC1CYP2C19
SCHEMBL6749185 0.84 HTT (0.59) HTTSMN1; SMN2RAB9ANPC1CYP2C19
SCHEMBL6749001 0.84 SMN1; SMN2 (0.67) HTTSMN1; SMN2RAB9ANPC1CYP2C19
SCHEMBL14711120 0.84 ALDH1A1 (0.45) HTTSMN1; SMN2RAB9ANPC1PDE4B
SCHEMBL14710869 0.84 CCR1 (0.49) HTTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL14711221 0.84 CCR1 (0.64) CCR1

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 HTT 2395/4885SMN1; SMN2 4491/4885RAB9A 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.