SCHEMBL2807972

SCHEMBL2807972

CC1CCCN1OC(=O)C(O)C(O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 3/20 0.35
BLM P54132 1/20 0.35
ALOX15 P16050 1/20 0.35
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 1/20 0.32
CYP2D6 P10635 1/20 0.31
HTT P42858 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL6392087 0.93 LMNA (0.34) KDM4ELMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL120892 0.93 LMNA (0.34) KDM4ELMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL489224 0.93 LMNA (0.34) KDM4ELMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL489632 0.88 GAA (0.39) TSHRKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL2828018 0.79 LMNA (0.33) TSHRNFKB1CYP2C19KDM4EBLM
SCHEMBL2831475 0.79 LMNA (0.33) TSHRNFKB1CYP2C19KDM4EBLM
SCHEMBL12311415 0.75 CHRNB4 (0.38) KDM4EALOX15LMNAALDH1A1SMN1; SMN2
SCHEMBL27929797 0.74 ACHE (0.34) TSHRKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL27892417 0.70 ENO1 (0.34) ALDH1A1HRH3
SCHEMBL261002 0.70 GAA (0.32) HRH3

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-20100240653-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2010-09-23 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-20100240653-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HRH3, HRH4, HRH1 TSHR 396/4885NFKB1 3380/4885CYP2C19 651/4885

“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.