SCHEMBL5963530

SCHEMBL5963530

CN1C2(CCCCC2)C(N2C(=O)c3ccccc3C2=O)=C(c2ccc(Cl)cc2)S1(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
AR P10275 1/20 0.36
ALPL P05186 1/20 0.36
HTR1A P08908 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL5963662 0.76 ADORA2B (0.35) MEN1KMT2AALDH1A1
SCHEMBL5964149 0.69 GALR1 (0.37) PGRALDH1A1CA9LMNANPC1
SCHEMBL5964213 0.69 HSD11B1 (0.33) LMNA
SCHEMBL6820982 0.69 KDM4E (0.36) ALDH1A1LMNA
SCHEMBL5964017 0.68 GRIN1 (0.36) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL5963651 0.65 GALR1 (0.39) PGRALDH1A1NPC1RAB9A
SCHEMBL5963756 0.65 LMNA (0.44) PGRKMT2AHTR1AALDH1A1LMNA
SCHEMBL6817283 0.63 LMNA (0.36) CA12CA9LMNATSHRNPC1
SCHEMBL5963561 0.63 SLC6A2 (0.33) LMNASMN1; SMN2
SCHEMBL3627957 0.60 KMT2A (1.00) PGRMEN1KMT2ACA12CA1

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 PGR 813/4885MEN1 136/4885KMT2A 3557/4885

“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.