SCHEMBL6076043

SCHEMBL6076043

CCOC(=O)CCSc1ccc2cccc(CCNC(=O)c3cccc(C(F)(F)F)c3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
POLB P06746 2/20 0.48
TRPV1 Q8NER1 3/20 0.46
MTNR1A P48039 6/20 0.46
MTNR1B P49286 4/20 0.46
NQO2 P16083 2/20 0.46
F2 P00734 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TP53 P04637 1/20 0.42
TP53BP1 Q12888 1/20 0.42
DDR1 Q08345 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL7839407 0.88 MTNR1A (0.48) ALDH1A1POLBTRPV1MTNR1AMTNR1B
SCHEMBL6078577 0.82 ALDH1A1 (0.51) ALDH1A1POLBTRPV1MTNR1AMTNR1B
SCHEMBL9490469 0.78 MTNR1A (0.75) TRPV1MTNR1AMTNR1BNQO2
SCHEMBL6076911 0.77 TRPV1 (0.67) ALDH1A1POLBTRPV1MTNR1AMTNR1B
SCHEMBL6076810 0.73 NQO2 (0.48) ALDH1A1POLBTRPV1MTNR1AMTNR1B
SCHEMBL11353085 0.72 ALDH1A1 (0.61) ALDH1A1POLBF2CYP1A2CYP2C9
SCHEMBL6373544 0.70 MTNR1A (0.65) TRPV1MTNR1AMTNR1BNQO2
SCHEMBL6076556 0.70 MTNR1A (0.74) MTNR1AMTNR1BNQO2
SCHEMBL7024072 0.70 MTNR1A (0.68) MTNR1AMTNR1BNQO2
SCHEMBL8029023 0.69 HDAC3 (0.60) ALDH1A1POLBF2CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7126012-B2 Substituted cyclic compounds LES LABORATOIRES SERVIER (FR) 2006-10-24 US disclosed
US-7115752-B2 Substituted cyclic compounds LES LABORATOIRES SERVIER (FR) 2006-10-03 US disclosed
US-20050124682-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-06-09 US disclosed
US-6872851-B1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LES LABORATORIES SERVIER (FR) 2005-03-29 US disclosed
US-20050059729-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-03-17 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 (2 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-20050059729-A1 Substituted cyclic compounds CCNY, CCNT2, TECR ALDH1A1 1013/4885POLB 1154/4885TRPV1 2763/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR ALDH1A1 1013/4885POLB 1154/4885TRPV1 2763/4885

“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.