SCHEMBL12435547

SCHEMBL12435547

COC(=O)Cc1cc2c(OCC(C(C)O)C(C)O)cccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.48
MTNR1B P49286 5/20 0.48
HTR1A P08908 2/20 0.47
SLC6A2 P23975 2/20 0.47
ABCB11 O95342 1/20 0.47
ADRA2A P08913 1/20 0.47
PTGS1 P23219 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
CYP2D6 P10635 3/20 0.45
CYP1A2 P05177 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ADRB2 P07550 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
MLNR O43193 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
SCHEMBL14154752 0.91 MTNR1A (0.48) MTNR1AMTNR1BHTR1ASLC6A2ABCB11
SCHEMBL12435546 0.75 MTNR1A (0.48) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL152992 0.74 MTNR1A (0.47) MTNR1AMTNR1BDRD3KDM4EALDH1A1
SCHEMBL7993891 0.73 MTNR1A (0.54) MTNR1AMTNR1BKDM4ELMNAMAPT
SCHEMBL6715526 0.71 MTNR1A (0.60) MTNR1AMTNR1BKDM4EHSD17B10LMNA
SCHEMBL12388663 0.70 CYP2D6 (0.59) MTNR1AMTNR1BHTR1ASLC6A2ABCB11
SCHEMBL28586501 0.70 MTNR1A (0.65) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL11709903 0.69 KDM4E (0.48) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL4653784 0.68 HTR1A (0.54) MTNR1AMTNR1BHTR1ASLC6A2ABCB11
SCHEMBL8686875 0.68 MTNR1A (0.56) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10

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-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2011-08-04 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-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 MTNR1A 89/4885MTNR1B 108/4885HTR1A 22/4885

“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.