SCHEMBL13855656

SCHEMBL13855656

CC(C)(C)N1CCC(Oc2ccccc2Br)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.41
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SSTR1 P30872 2/20 0.38
SSTR4 P31391 2/20 0.38
RBP4 P02753 1/20 0.38
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHRM3 P20309 2/20 0.37
UTS2R Q9UKP6 1/20 0.37
MAPK14 Q16539 2/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
CHRM2 P08172 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
CHRM1 P11229 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL13855681 0.83 SCD (0.47) SCDRBP4SMN1; SMN2KMT2A
SCHEMBL13855675 0.83 EPHX2 (0.46) RBP4SMN1; SMN2CHRM3CHRM2CHRM1
SCHEMBL6222814 0.82 SLC6A4 (0.43) SCDMAPK14KCNH2
SCHEMBL1929245 0.82 SMN1; SMN2 (0.51) LMNAALDH1A1SSTR1SSTR4KDM4E
SCHEMBL13855667 0.81 RBP4 (0.55) SCDLMNAALDH1A1RBP4KDM4E
SCHEMBL13855657 0.80 PDE3B (0.46) ALDH1A1KDM4EKMT2AMAPK14KCNH2
SCHEMBL2404772 0.79 HRH1 (0.43) SCDLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL31652114 0.79 HRH1 (0.43) SCDLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL13855670 0.79 SMN1; SMN2 (0.60) LMNAALDH1A1RBP4KDM4ESMN1; SMN2
SCHEMBL13855680 0.79 HRH1 (0.46) SSTR1SSTR4RBP4KDM4ESMN1; SMN2

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-20090118296-A1 Heteroaromatic Compounds As Inhibitors Of Stearoyl-Coenzyme A Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2009-05-07 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-20090118296-A1 Heteroaromatic Compounds As Inhibitors Of Stearoyl-Coenzyme A Delta-9 Desaturase SCD, SCD5, SREBF1 SCD 1/4885LMNA 1083/4885ALDH1A1 512/4885

“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.