SCHEMBL10175100

SCHEMBL10175100

OC(c1ccccc1-c1ccc(Cl)cc1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
NR1I2 O75469 1/20 0.37
HSD11B1 P28845 1/20 0.37
NR1H4 Q96RI1 3/20 0.37
AKT1 P31749 1/20 0.37
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
CNR1 P21554 2/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 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
SCHEMBL31264458 0.85 CHRM1 (0.50) MEN1KMT2ANPSR1CYP1A2CYP2D6
SCHEMBL553741 0.85 CHRM1 (0.50) MEN1KMT2ANPSR1CYP1A2CYP2D6
SCHEMBL553920 0.85 CHRM1 (0.50) MEN1KMT2ANPSR1CYP1A2CYP2D6
SCHEMBL553740 0.85 CHRM1 (0.50) MEN1KMT2ANPSR1CYP1A2CYP2D6
SCHEMBL31451120 0.85 CHRM1 (0.50) MEN1KMT2ANPSR1CYP1A2CYP2D6
SCHEMBL570573 0.80 MGLL (0.43) MEN1KMT2AMAPTHSD11B1IDO1
SCHEMBL10175161 0.79 AKT1 (0.35) CYP1A2MAPTPTGDR2NR1H4AKT1
SCHEMBL9940818 0.77 ADRB2 (0.45) MEN1KMT2ANPSR1CYP2D6IDO1
SCHEMBL16423035 0.76 AKT1 (0.51) NPSR1CYP2C19PTGDR2AKT1IDO1
SCHEMBL29609167 0.75 ADRB2 (0.46) CYP2D6IDO1TDO2CNR1ALDH1A1

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 MEN1 2368/4885KMT2A 2562/4885NPSR1 3981/4885
US-20150328239-A1 Chemical Compounds BCL2, BCL2L1, BAX MEN1 2368/4885KMT2A 2562/4885NPSR1 3981/4885
US-20160176906-A1 Chemical Compounds BCL2, BCL2L1, BAX MEN1 2368/4885KMT2A 2562/4885NPSR1 3981/4885
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BCL2, BAX, BCLAF1 MEN1 4724/4885KMT2A 1548/4885NPSR1 3714/4885

“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.