SCHEMBL5963744

SCHEMBL5963744

O=S1(=O)NC2(CCCCC2)C(CBr)=C1c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
GALR1 P47211 1/20 0.41
SLC6A4 P31645 4/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 2/20 0.36
S1PR1 P21453 1/20 0.35
LMNA P02545 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
HTR2C P28335 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL5964630 0.84 SMN1; SMN2 (0.41) SMN1; SMN2GALR1SLC6A4MEN1KMT2A
SCHEMBL5964235 0.76 SMN1; SMN2 (0.48) SMN1; SMN2GALR1SLC6A4MEN1KMT2A
SCHEMBL5963772 0.74 AKR1B1 (0.33) GALR1SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL6282281 0.69 IKBKB (0.42) GALR1CA12CA9
SCHEMBL8645254 0.64 HTR2C (0.43) SMN1; SMN2GALR1SLC6A4MEN1KMT2A
SCHEMBL5963352 0.63 SMN1; SMN2 (0.47) SMN1; SMN2SLC6A4MEN1KMT2ASLC6A2
SCHEMBL5963456 0.63 SLC6A2 (0.36) SMN1; SMN2SLC6A4KMT2ASLC6A2SLC6A3
Hydrochloric Acid SCHEMBL8643774 0.63 HTR2C (0.44) SMN1; SMN2GALR1SLC6A4MEN1KMT2A
SCHEMBL5963589 0.62 SLC6A4 (0.38) GALR1SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL10269861 0.61 MAOB (0.53) MEN1KMT2AHTR2CPOLB

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-7125840-B2 Substituted dipeptides as growth hormone secretagogues ELI LILLY AND COMPANY (US) 2006-10-24 US disclosed
EP-1326851-B1 SUBSTITUTED DIPEPTIDES AS GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2004-06-30 EP disclosed
US-20040058971-A1 Substituted dipeptides as growth hormone secretagogues ELI LILLY AND COMPANY 2004-03-25 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-20040058971-A1 Substituted dipeptides as growth hormone secretagogues GHSR, GHRHR, SSTR4 SMN1; SMN2 3213/4885GALR1 404/4885SLC6A4 794/4885

“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.