SCHEMBL6527031

SCHEMBL6527031

CC(=O)N1c2ccc(S(C)(=O)=O)cc2CN(C(C)C)S1(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.37
MAPK1 P28482 1/20 0.37
SLC6A9 P48067 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
BRD4 O60885 1/20 0.35
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
TP53 P04637 2/20 0.34
KCNH2 Q12809 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR119 Q8TDV5 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
SCHEMBL6527027 0.77 KCNH2 (0.34) SLC6A9BRD4KCNH2TMEM97SIGMAR1
SCHEMBL7948151 0.72 LMNA (0.36) ALDH1A1LMNASLC6A9BRD4AKR1C3
SCHEMBL6527029 0.70 BRD4 (0.33) SLC6A9BRD4KCNH2TMEM97SIGMAR1
SCHEMBL6500053 0.70 KCNH2 (0.32) SLC6A9BRD4KCNH2TMEM97SIGMAR1
SCHEMBL6490566 0.68 PNMT (0.38) SLC6A9BRD4KCNH2TMEM97SIGMAR1
SCHEMBL21729633 0.66 NOTUM (0.55) SLC6A9KCNH2TMEM97SIGMAR1
SCHEMBL14089194 0.66 NOTUM (0.63) ALDH1A1LMNARAB9AMAPK1SMN1; SMN2
SCHEMBL6975709 0.65 PNMT (0.38) SLC6A9KCNH2TMEM97SIGMAR1
SCHEMBL20647049 0.63 CYP11B1 (0.53) ALDH1A1RAB9AMAPK1SMN1; SMN2USP2
SCHEMBL6982495 0.63 KCNH2 (0.32) SLC6A9KCNH2TMEM97SIGMAR1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6844338-B2 Piperidyindoles as serotonin receptor ligands ELI LILLY AND COMPANY (US) 2005-01-18 US disclosed
US-20030225068-A1 Piperidyindoles as serotonin receptor ligands ELI LILLY AND COMPANY 2003-12-04 US disclosed
EP-1131321-B1 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS LILLY CO ELI (GB) 2003-09-10 EP disclosed
US-6329366-B1 HETEROCYCLIC, PIPERIDINE, INDOLE DERIVITIVES FOR TREATMENT OF NERVOUS SYSTEM DISORDERS AND SEROTONIN ANTAGONIST ELI LILLY AND COMPANY LIMITED (GB) 2001-12-11 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-20030225068-A1 Piperidyindoles as serotonin receptor ligands CNR1, HTR1D, HTR1A ALDH1A1 1545/4885LMNA 2925/4885TSHR 208/4885

“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.