SCHEMBL5963749

SCHEMBL5963749

CCCNCC1=C(c2ccc(Cl)cc2)S(=O)(=O)NC12CCCCC2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.34
AKR1B1 P15121 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
SLC6A2 P23975 1/20 0.31
SSTR3 P32745 1/20 0.31
CHRM1 P11229 1/20 0.31
HTR2A P28223 1/20 0.31
MCHR1 Q99705 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL5963345 0.93 SMN1; SMN2 (0.39) FPR2AKR1B1SMN1; SMN2CNR1ALDH1A1
SCHEMBL5964210 0.91 AKR1B1 (0.34) FPR2AKR1B1SLC6A4SLC6A3SLC6A2
SCHEMBL5004858 0.90 AKR1B1 (0.33) FPR2AKR1B1SLC6A4SLC6A3SLC6A2
SCHEMBL5007459 0.87 FPR2 (0.32) FPR2AKR1B1
SCHEMBL5963305 0.86 SLC6A3 (0.39) FPR2AKR1B1SLC6A4SLC6A3SLC6A2
SCHEMBL5964279 0.84 AKR1B1 (0.31) AKR1B1SLC6A4SLC6A3SLC6A2DRD2
SCHEMBL5963569 0.83 KMT2A (0.38) AKR1B1ALDH1A1LMNA
SCHEMBL6820213 0.83 AKR1B1 (0.39) FPR2AKR1B1ALDH1A1LMNACYP3A4
SCHEMBL5963604 0.81 POLB (0.35) AKR1B1SMN1; SMN2SSTR3ALDH1A1CYP3A4
SCHEMBL5963772 0.79 AKR1B1 (0.33) FPR2AKR1B1SLC6A4SLC6A3SLC6A2

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
EP-1326851-B1 SUBSTITUTED DIPEPTIDES AS GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2004-06-30 EP claimed
US-7125840-B2 Substituted dipeptides as growth hormone secretagogues ELI LILLY AND COMPANY (US) 2006-10-24 US 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 FPR2 2452/4885AKR1B1 4086/4885SMN1; SMN2 3213/4885

“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.