SCHEMBL6746046

SCHEMBL6746046

COC(=O)C1(c2ccccc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
OPRM1 P35372 4/20 0.59
OPRD1 P41143 4/20 0.59
OPRK1 P41145 4/20 0.59
KCNA3 P22001 2/20 0.58
ADRA1A P35348 3/20 0.56
ADRA1D P25100 2/20 0.56
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56
OPRL1 P41146 1/20 0.56
POLB P06746 1/20 0.55
CYP2D6 P10635 3/20 0.54
ALDH1A1 P00352 1/20 0.54
ADRA1B P35368 1/20 0.53
SLC22A1 O15245 1/20 0.52
SLC6A4 P31645 1/20 0.52
KCNH2 Q12809 1/20 0.52
HSD11B1 P28845 1/20 0.52

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
SCHEMBL10567213 0.92 OPRM1 (0.53) KDM4ENPSR1OPRM1OPRD1OPRK1
SCHEMBL4881599 0.88 L3MBTL1 (0.60) KDM4ENPSR1CYP2D6ALDH1A1KCNH2
SCHEMBL6200425 0.88 KDM4E (0.53) KDM4ENPSR1OPRM1OPRL1ALDH1A1
SCHEMBL11282136 0.86 OPRM1 (0.80) KDM4ENPSR1OPRM1OPRD1OPRK1
SCHEMBL26637780 0.86 GAA (0.49) KDM4ENPSR1OPRM1OPRD1OPRK1
SCHEMBL5764552 0.85 KDM4E (0.51) KDM4EOPRM1OPRL1ALDH1A1
SCHEMBL5764547 0.85 KDM4E (0.51) KDM4EOPRM1OPRL1ALDH1A1
SCHEMBL2789658 0.85 KDM4E (0.61) KDM4ENPSR1OPRM1OPRD1OPRK1
SCHEMBL191606 0.85 DRD2 (0.59) KCNA3ADRA1AADRA1DDRD2DRD4
SCHEMBL23535114 0.84 DRD2 (0.51) KDM4ENPSR1OPRM1OPRD1OPRK1

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
WO-1998007722-A1 QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONIST PFIZER LIMITED (GB) 1998-02-26 WO 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 KDM4E 1573/4885NPSR1 556/4885OPRM1 1879/4885

“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.