SCHEMBL6076062

SCHEMBL6076062

C#CCSc1ccc2c(c1)OC(CCNC(C)=O)CO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.61
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
DRD2 P14416 1/20 0.37
HTT P42858 1/20 0.36
CA2 P00918 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
MTNR1B P49286 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
AIMP2 Q13155 1/20 0.35

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
SCHEMBL5341627 0.79 MTNR1A (0.72) MTNR1AALDH1A1POLBDRD2HTT
SCHEMBL6076769 0.76 MTNR1A (0.48) MTNR1AMTNR1B
SCHEMBL6076764 0.76 MTNR1A (0.55) MTNR1AMTNR1B
SCHEMBL6076831 0.76 MTNR1A (0.57) MTNR1AALDH1A1POLBHTTCA2
SCHEMBL7200942 0.76 MTNR1A (1.00) MTNR1AALDH1A1POLBMTNR1B
SCHEMBL7201020 0.76 MTNR1A (0.74) MTNR1AALDH1A1POLBDRD2HTT
SCHEMBL7204558 0.69 MTNR1A (0.71) MTNR1AALDH1A1POLBDRD2HTT
SCHEMBL6076623 0.63 MTNR1A (0.51) MTNR1AMTNR1B
SCHEMBL6075984 0.63 MTNR1A (0.51) MTNR1AALDH1A1POLBHTTCA2
SCHEMBL7202212 0.63 MTNR1A (1.00) MTNR1AALDH1A1POLBSMN1; SMN2HPGD

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 MTNR1A 465/4885ALDH1A1 1013/4885POLB 1154/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885ALDH1A1 1013/4885POLB 1154/4885

“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.