SCHEMBL14127635

SCHEMBL14127635

COC(=O)c1cc(F)ccc1OCC1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 12/20 0.47
CHRM1 P11229 12/20 0.47
CHRM3 P20309 12/20 0.47
TDP1 Q9NUW8 1/20 0.43
RBP4 P02753 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
SCN8A Q9UQD0 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
KDM1A O60341 1/20 0.42
AKT1 P31749 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL12748512 0.85 ALDH1A1 (0.52) CHRM2CHRM1CHRM3TDP1
Hydrochloric Acid SCHEMBL1474973 0.84 ALDH1A1 (0.51) CHRM2CHRM1CHRM3TDP1KDM1A
Hydrochloric Acid SCHEMBL2779123 0.80 BCL9 (0.43)
SCHEMBL14127692 0.78 RBP4 (0.53) RBP4
SCHEMBL16770667 0.78 SCN9A (0.58)
SCHEMBL7649618 0.78 ALDH1A1 (0.51) RBP4SCN8ASCN10A
SCHEMBL27599474 0.78 ALDH1A1 (0.50) CHRM3IRAK4
SCHEMBL1475689 0.77 SLC6A4 (0.49) CHRM2CHRM1CHRM3TDP1KDM1A
SCHEMBL18682185 0.77 SCN9A (0.42) IRAK4
Hydrochloric Acid SCHEMBL16759499 0.77 SCN9A (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140088124-A1 IMIDAZOLE DERIVATIVES INTERVET INC. 2014-03-27 US disclosed
US-20140088124-A1 IMIDAZOLE DERIVATIVES INTERVET INC. 2014-03-27 US disclosed
US-20140088124-A1 IMIDAZOLE DERIVATIVES INTERVET INC. 2014-03-27 US disclosed
WO-2012162794-A1 CONJUGATED COPOLYMERS USEFUL IN ELECTRONICS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-12-06 WO disclosed
WO-2012164071-A1 IMIDAZOLE DERIVATIVES INTERVET INTERNATIONAL B.V. (NL) 2012-12-06 WO disclosed
WO-2012164071-A1 IMIDAZOLE DERIVATIVES INTERVET INTERNATIONAL B.V. (NL) 2012-12-06 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-20140088124-A1 IMIDAZOLE DERIVATIVES DGAT1, DGAT2, SOAT1 CHRM2 4064/4885CHRM1 3934/4885CHRM3 4355/4885

“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.