SCHEMBL10175130

SCHEMBL10175130

CC(=O)C[C@@H](C)CSc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.58
MTNR1B P49286 7/20 0.58
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
FFAR1 O14842 1/20 0.46
ALDH1A1 P00352 3/20 0.41
MMP2 P08253 3/20 0.40
MMP3 P08254 3/20 0.40
MMP9 P14780 3/20 0.40
MMP13 P45452 2/20 0.40
MMP1 P03956 1/20 0.40
MMP8 P22894 1/20 0.40
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL10175212 0.81 MTNR1A (0.50) MTNR1AMTNR1BMAOAMAOBFFAR1
SCHEMBL10175188 0.81 MTNR1A (0.54) MTNR1AMTNR1BMAOAMAOBFFAR1
SCHEMBL10175128 0.81 MAOA (0.55) MTNR1AMTNR1BMAOAMAOBFFAR1
SCHEMBL14490649 0.80 MAOA (0.68) MTNR1AMTNR1BMAOAMAOBFFAR1
SCHEMBL12446353 0.79 MTNR1A (0.48) MTNR1AMTNR1BMAOAMAOBALDH1A1
SCHEMBL13597698 0.78 MTNR1A (0.50) MTNR1AMTNR1BMAOAMAOBFFAR1
SCHEMBL9425508 0.78 MTNR1A (0.47) MTNR1AMTNR1BMAOAMAOBFFAR1
SCHEMBL96627 0.77 MAOA (0.59) MTNR1AMTNR1BMAOAMAOBFFAR1
SCHEMBL96626 0.77 MAOA (0.59) MTNR1AMTNR1BMAOAMAOBFFAR1
SCHEMBL7368245 0.76 MTNR1A (0.59) MTNR1AMTNR1BMAOAMAOBFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160176906-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-06-23 US disclosed
US-9248140-B2 Chemical compounds ASTRAZENECA AB (SE) 2016-02-02 US disclosed
US-20150328239-A1 Chemical Compounds ASTRAZENECA AB (SE) 2015-11-19 US disclosed
US-9018381-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-04-28 US disclosed
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (UK) 2013-11-21 US disclosed
US-20120035134-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 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-20120035134-A1 CHEMICAL COMPOUNDS BCL2, BCL2L1, BAX MTNR1A 2899/4885MTNR1B 1836/4885MAOA 1944/4885
US-20150328239-A1 Chemical Compounds BCL2, BCL2L1, BAX MTNR1A 2899/4885MTNR1B 1836/4885MAOA 1944/4885
US-20160176906-A1 Chemical Compounds BCL2, BCL2L1, BAX MTNR1A 2899/4885MTNR1B 1836/4885MAOA 1944/4885
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BCL2, BAX, BCLAF1 MTNR1A 3368/4885MTNR1B 2617/4885MAOA 3289/4885

“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.