SCHEMBL5654746

SCHEMBL5654746

CCCCCCCCCCOCC(O)CNC(C)(C)Cc1ccc(OCC)cc1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 17/20 0.76
HTT P42858 1/20 0.53
GHSR Q92847 1/20 0.49
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2D6 P10635 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
ADRB2 P07550 2/20 0.46
ADRB3 P13945 1/20 0.46

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
SCHEMBL5524824 0.90 CASR (0.93) CASRHTTCYP2D6SLC6A2SLC6A4
SCHEMBL5515067 0.90 CASR (0.93) CASRHTTCYP2D6SLC6A2SLC6A4
SCHEMBL5517787 0.90 CASR (0.93) CASRHTTCYP2D6SLC6A2SLC6A4
SCHEMBL5513201 0.90 CASR (0.93) CASRHTTCYP2D6SLC6A2SLC6A4
SCHEMBL14522258 0.87 CASR (0.73) CASRHTT
SCHEMBL5519297 0.86 CASR (1.00) CASRHTTCYP2D6SLC6A2SLC6A4
SCHEMBL5516485 0.80 CASR (0.82) CASRCYP2D6SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5521295 0.79 CASR (0.80) CASRCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL5511591 0.78 CASR (0.74) CASRCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL5524136 0.76 CASR (0.76) CASRCYP2D6SLC6A2SLC6A4SLC6A3

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-20070249702-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC 2007-10-25 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-20070249702-A1 CALCILYTIC COMPOUNDS CALCR, CASR, ORAI1 CASR 2/4885HTT 3839/4885GHSR 261/4885

“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.