SCHEMBL553892

SCHEMBL553892

N#CC(c1ccccc1-c1ccc(Cl)cc1)C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
CHRM2 P08172 1/20 0.39
SLC6A2 P23975 5/20 0.39
SLC6A3 Q01959 5/20 0.39
SLC6A4 P31645 4/20 0.39
HRH1 P35367 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL554969 1.00 CHRM1 (0.40) CHRM1CHRM3CHRM2SLC6A2SLC6A3
SCHEMBL553891 1.00 CHRM1 (0.40) CHRM1CHRM3CHRM2SLC6A2SLC6A3
SCHEMBL27602181 0.81 SLC6A2 (0.40) SLC6A2SLC6A3SLC6A4HRH1
SCHEMBL31451120 0.80 CHRM1 (0.50) CHRM1CHRM3CHRM2SLC6A2SLC6A3
SCHEMBL31264458 0.80 CHRM1 (0.50) CHRM1CHRM3CHRM2SLC6A2SLC6A3
SCHEMBL553740 0.80 CHRM1 (0.50) CHRM1CHRM3CHRM2SLC6A2SLC6A3
SCHEMBL553741 0.80 CHRM1 (0.50) CHRM1CHRM3CHRM2SLC6A2SLC6A3
SCHEMBL553920 0.80 CHRM1 (0.50) CHRM1CHRM3CHRM2SLC6A2SLC6A3
SCHEMBL570865 0.78 MGLL (0.42)
SCHEMBL16657609 0.77 SLC6A3 (0.52) SLC6A2SLC6A3SLC6A4NOS3NOS1

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 10 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
EP-2601177-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS AstraZeneca AB (SE) 2013-06-12 EP disclosed
CN-103153954-A N-acylsulfonamide apoptosis promoters ASTRAZENECA AB 2013-06-12 CN disclosed
US-20120035134-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 US disclosed
WO-2012017251-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
WO-2012017251-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (SE) 2012-02-09 WO 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 CHRM1 4878/4885CHRM3 4804/4885CHRM2 4830/4885
US-20150328239-A1 Chemical Compounds BCL2, BCL2L1, BAX CHRM1 4878/4885CHRM3 4804/4885CHRM2 4830/4885
US-20160176906-A1 Chemical Compounds BCL2, BCL2L1, BAX CHRM1 4878/4885CHRM3 4804/4885CHRM2 4830/4885
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BCL2, BAX, BCLAF1 CHRM1 4885/4885CHRM3 4877/4885CHRM2 4867/4885

“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.