SCHEMBL9951252

SCHEMBL9951252

CN(C)CCC(N)CSc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.55
MAOB P27338 1/20 0.55
HTR2A P28223 2/20 0.47
HRH1 P35367 2/20 0.47
BCL2L1 Q07817 1/20 0.42
SLC6A4 P31645 2/20 0.41
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
CHRM2 P08172 1/20 0.37
SLC6A2 P23975 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HTR7 P34969 1/20 0.37
CFD P00746 1/20 0.36

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
SCHEMBL385308 1.00 MAOA (0.55) MAOAMAOBHTR2AHRH1BCL2L1
SCHEMBL1541274 1.00 MAOA (0.55) MAOAMAOBHTR2AHRH1BCL2L1
SCHEMBL376197 0.89 MAOA (0.50) MAOAMAOBHTR2AHRH1BCL2L1
SCHEMBL1540363 0.85 MAOA (0.54) MAOAMAOBHTR2AHRH1BCL2L1
SCHEMBL1539939 0.84 MAOA (0.49) MAOAMAOBHTR2AHRH1BCL2L1
SCHEMBL1539982 0.83 MAOA (0.56) MAOAMAOBHTR2AHRH1BCL2L1
SCHEMBL1111740 0.83 MAOA (0.56) MAOAMAOBHTR2AHRH1BCL2L1
SCHEMBL19145390 0.83 MAOA (0.51) MAOAMAOBSLC6A4MTNR1AMTNR1B
SCHEMBL1540481 0.83 MAOA (0.51) MAOAMAOBSLC6A4MTNR1AMTNR1B
SCHEMBL21179229 0.83 MAOA (0.47) MAOAMAOBMTNR1AMTNR1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220425-A1 BCL-XL/BCL-2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
US-9248140-B2 Chemical compounds ASTRAZENECA AB (SE) 2016-02-02 US disclosed
US-8809352-B2 Sulfonamides as inhibitors of Bcl-2 family proteins for the treatments of cancer NOVARTIS AG (CH) 2014-08-19 US disclosed
EP-2475661-B1 SULFONAMIDES AS INHIBITORS OF BCL-2 FAMILY PROTEINS FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2013-10-23 EP disclosed
US-20120165298-A1 SULFONAMIDE COMPOUNDS NOVARTIS AG (CH) 2012-06-28 US disclosed
US-7777076-B2 Macrocyclic inhibitors of BCL proteins ABBOTT LABORATORIES (US) 2010-08-17 US disclosed
US-20080194691-A1 Apoptosis Promoters ABBOTT LABORATORIES (US) 2008-08-14 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 (2 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-20080194691-A1 Apoptosis Promoters BAX, BCL2, BCOR MAOA 1981/4885MAOB 836/4885HTR2A 2733/4885
US-20120165298-A1 SULFONAMIDE COMPOUNDS BCLAF1, BCL2L11, BCL2 MAOA 4794/4885MAOB 4727/4885HTR2A 3260/4885

“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.