SCHEMBL5342174

SCHEMBL5342174

CC(=O)NCc1c(Cc2ccccc2)sc2ccc(O)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.48
MTNR1B P49286 4/20 0.48
MAPT P10636 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
HK1 P19367 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
MAOB P27338 1/20 0.40
PTPN1 P18031 4/20 0.39
TRPV1 Q8NER1 1/20 0.38
USP2 O75604 1/20 0.38
SENP5 Q96HI0 1/20 0.38
SENP2 Q9HC62 1/20 0.38
SENP1 Q9P0U3 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ALOX5 P09917 1/20 0.38
MEN1 O00255 2/20 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
SCHEMBL8124043 0.88 MTNR1A (0.60) MTNR1AMTNR1BMAPTCYP1A2CYP3A4
SCHEMBL5351211 0.87 PTPN1 (0.41) MTNR1AMTNR1BMAPTCYP1A2CYP3A4
SCHEMBL5381775 0.87 PTGS2 (0.40) MTNR1AMTNR1BMAPTCYP1A2CYP3A4
SCHEMBL6076022 0.78 MTNR1A (0.36) MTNR1AMTNR1BMAPTCYP1A2CYP3A4
SCHEMBL6075298 0.78 SENP5 (0.34) MTNR1AMTNR1BMAPTCYP1A2CYP3A4
SCHEMBL8126822 0.76 MTNR1A (0.61) MTNR1AMTNR1BMAPTCYP1A2CYP3A4
SCHEMBL8123933 0.76 MTNR1A (0.47) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C9
SCHEMBL7966318 0.76 MTNR1A (0.55) MTNR1AMTNR1BMAOB
SCHEMBL8124556 0.75 MTNR1A (0.57) MTNR1AMTNR1BMAPTCYP1A2CYP3A4
SCHEMBL7018975 0.75 MTNR1A (0.45) MTNR1AMTNR1BMAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183318-B2 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2007-02-27 US disclosed
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
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LESIEUR DANIEL (FR) 2004-01-01 US disclosed
US-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LESIEUR DANIEL (FR) 2004-01-01 US disclosed
US-6605632-B1 Affinity for melatonin receptors LES LABORATOIRES SERVIER (FR) 2003-08-12 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 (4 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 465/4885MTNR1B 414/4885MAPT 3560/4885
US-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP4B1, CYP3A5, MC2R MTNR1A 388/4885MTNR1B 325/4885MAPT 4020/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885MTNR1B 414/4885MAPT 3560/4885
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP3A5, CYP4B1, MC2R MTNR1A 409/4885MTNR1B 340/4885MAPT 4013/4885

“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.