SCHEMBL6811731

SCHEMBL6811731

CC1CN(c2ccc(I)c3cc(F)ccc23)CCN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 10/20 0.42
▸ MAPT P10636 3/20 0.41
▸ CHRM4 P08173 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMO Q99835 1/20 0.39
▸ HTR1A P08908 2/20 0.37
▸ HTR1D P28221 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ HTR1B P28222 1/20 0.37

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
SCHEMBL6811721 1.00 HSD11B1 (0.42) HSD11B1MAPTCHRM4ALDH1A1LMNA
SCHEMBL6808203 0.88 MAPT (0.45) HSD11B1MAPTCHRM4ALDH1A1LMNA
SCHEMBL6808198 0.88 MAPT (0.45) HSD11B1MAPTCHRM4ALDH1A1LMNA
SCHEMBL6808586 0.75 ALDH1A1 (0.44) HSD11B1MAPTALDH1A1LMNA
SCHEMBL6808590 0.75 ALDH1A1 (0.44) HSD11B1MAPTALDH1A1LMNA
SCHEMBL4573282 0.74 HSD11B1 (0.45) HSD11B1CHRM4
SCHEMBL9959713 0.73 NOTUM (0.54) MAPTCHRM4ALDH1A1LMNASMO
SCHEMBL28094549 0.72 MAPT (0.53) MAPTCHRM4ALDH1A1LMNA
SCHEMBL20874064 0.72 MAPT (0.53) MAPTCHRM4ALDH1A1LMNA
SCHEMBL23291446 0.71 HSD11B1 (0.47) HSD11B1MAPTCHRM4ALDH1A1LMNA

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-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 — — US disclosed
EP-1345930-A2 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-09-24 — — EP disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 — — WO 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-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 HSD11B1 63/4885MAPT 2401/4885CHRM4 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.

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