SCHEMBL10175161

SCHEMBL10175161

[C-]#[N+]C(c1ccccc1-c1ccc(Cl)cc1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
NR1H4 Q96RI1 3/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
POLB P06746 1/20 0.33
PTGS2 P35354 2/20 0.33
PTGS1 P23219 1/20 0.33
CNR1 P21554 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX15B O15296 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL10175100 0.79 MEN1 (0.39) AKT1PTGDR2NR1H4CNR1ALDH1A1
SCHEMBL10175162 0.75 USP2 (0.43) CNR1ALDH1A1
SCHEMBL10175160 0.75 USP2 (0.43) CNR1ALDH1A1
SCHEMBL28169156 0.68 ALDH1A1 (0.44) BCHEACHEALDH1A1
SCHEMBL7650508 0.67 CYP1A2 (0.46) PTGS2PTGS1CNR1ALDH1A1SLC6A2
SCHEMBL60105 0.66 ALDH1A1 (0.43) BCHEACHEALDH1A1SLC6A2SLC6A4
SCHEMBL553741 0.66 CHRM1 (0.50) SLC6A2SLC6A4SLC6A3MAPTCYP1A2
SCHEMBL553920 0.66 CHRM1 (0.50) SLC6A2SLC6A4SLC6A3MAPTCYP1A2
SCHEMBL31264458 0.66 CHRM1 (0.50) SLC6A2SLC6A4SLC6A3MAPTCYP1A2
SCHEMBL31451120 0.66 CHRM1 (0.50) SLC6A2SLC6A4SLC6A3MAPTCYP1A2

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 5 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-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 (3 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 AKT1 313/4885PTGDR2 315/4885NR1H4 2565/4885
US-20160176906-A1 Chemical Compounds BCL2, BCL2L1, BAX AKT1 313/4885PTGDR2 315/4885NR1H4 2565/4885
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BCL2, BAX, BCLAF1 AKT1 1409/4885PTGDR2 1720/4885NR1H4 1435/4885

“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.