SCHEMBL21164548

SCHEMBL21164548

CCN(CC)C(=O)c1cccc(-c2cc(Cl)ccc2I)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.53
ALDH1A1 P00352 6/20 0.53
LMNA P02545 3/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
HSP90AA1 P07900 2/20 0.46
HSP90AB1 P08238 2/20 0.46
MAPT P10636 2/20 0.46
HSD11B1 P28845 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BRD4 O60885 1/20 0.41
TAF1 P21675 1/20 0.41
CECR2 Q9BXF3 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OPRD1 P41143 1/20 0.41
KCNH2 Q12809 1/20 0.41
GRM5 P41594 1/20 0.41

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
SCHEMBL16574201 0.87 HPGD (0.55) HPGDALDH1A1LMNATSHRTDP1
SCHEMBL18713573 0.84 HPGD (0.50) HPGDALDH1A1LMNATSHRTDP1
SCHEMBL5432092 0.80 HPGD (0.77) HPGDALDH1A1LMNATSHRTDP1
SCHEMBL11972816 0.77 ALDH1A1 (0.50) HPGDALDH1A1TSHRHSP90AA1HSP90AB1
SCHEMBL4434800 0.75 HPGD (0.73) HPGDALDH1A1LMNATSHRTDP1
SCHEMBL7406512 0.74 HPGD (0.79) HPGDALDH1A1LMNATSHRTDP1
SCHEMBL8078432 0.74 HPGD (0.67) HPGDALDH1A1LMNATSHRTDP1
SCHEMBL18714009 0.73 CECR2 (0.43) HPGDALDH1A1BRD4TAF1CECR2
SCHEMBL15706886 0.72 HPGD (0.72) HPGDALDH1A1LMNATSHRTDP1
SCHEMBL16574197 0.71 CECR2 (0.48) BRD4TAF1CECR2BRD9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 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-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A HPGD 140/4885ALDH1A1 433/4885LMNA 2851/4885

“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.