SCHEMBL10175188

SCHEMBL10175188

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.54
MTNR1B P49286 7/20 0.54
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KCNA5 P22460 1/20 0.43
FFAR1 O14842 1/20 0.42
RAB9A P51151 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
RXFP1 Q9HBX9 2/20 0.40
USP2 O75604 1/20 0.40
PRNP P04156 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HPGD P15428 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
SCHEMBL12446353 0.84 MTNR1A (0.48) MTNR1AMTNR1BMAOAMAOBRAB9A
SCHEMBL554681 0.83 MAOA (0.50) MTNR1AMTNR1BMAOAMAOBFFAR1
SCHEMBL554680 0.83 MAOA (0.50) MTNR1AMTNR1BMAOAMAOBFFAR1
SCHEMBL10175130 0.81 MTNR1A (0.58) MTNR1AMTNR1BMAOAMAOBFFAR1
SCHEMBL7073776 0.81 ALDH1A1 (0.51) MTNR1AMTNR1BMAOAMAOBKCNA5
SCHEMBL10175212 0.77 MTNR1A (0.50) MTNR1AMTNR1BMAOAMAOBFFAR1
SCHEMBL11637955 0.77 KCNA5 (0.44) MTNR1AMTNR1BKCNA5RAB9AL3MBTL1
SCHEMBL14490649 0.76 MAOA (0.68) MTNR1AMTNR1BMAOAMAOBFFAR1
SCHEMBL6764561 0.75 FFAR1 (0.61) FFAR1RAB9AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL10509525 0.75 NPC1 (0.51) MAOBKCNA5RAB9AALDH1A1TSHR

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.