SCHEMBL85218

SCHEMBL85218

CN1CCN(S(=O)(=O)NC(=O)C(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ATM Q13315 1/20 0.32
ENPP2 Q13822 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
SCHEMBL24961297 0.85 GAA (0.42) ALDH1A1POLBCA2NPSR1
SCHEMBL3936868 0.77 CA12 (0.41) ALDH1A1LMNAL3MBTL1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL7085128 0.77 POLB (0.39) ALDH1A1POLBLMNATSHRSMN1; SMN2
SCHEMBL13712256 0.74 CYP1A2 (0.38) ALDH1A1POLBLMNATSHRSMN1; SMN2
SCHEMBL92833 0.74 CYP2C9 (0.37) ALDH1A1POLBLMNATSHRSMN1; SMN2
SCHEMBL11930025 0.72 L3MBTL1 (0.39) ALDH1A1POLBL3MBTL1TSHRSMN1; SMN2
SCHEMBL84992 0.71 SCN9A (0.35) ALDH1A1L3MBTL1
SCHEMBL8212032 0.69 SMN1; SMN2 (0.41) POLBLMNAL3MBTL1TSHRSMN1; SMN2
SCHEMBL31680887 0.68 SMN1; SMN2 (0.56) ALDH1A1POLBLMNATSHRSMN1; SMN2
Pivalate SCHEMBL27696484 0.65 CYP1A2 (0.48) ALDH1A1POLBLMNATSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129410-B2 Sleep maintenance insomnia; circadian rhythm abnormalities; side effect reduction HYPNION, INC. (US) 2012-03-06 US disclosed
US-8101596-B2 Loxapine analogs and methods of use thereof HYPNION INC. (US) 2012-01-24 US disclosed
US-8088778-B2 Benzisoxazole piperazine compounds and methods of use thereof HYPNION, INC. (US) 2012-01-03 US disclosed
US-7807828-B2 Olanzapine analogs and methods of use thereof HYPNION, INC. (US) 2010-10-05 US disclosed
US-7592333-B2 Loxapine analogs and methods of use thereof HYPNION, INC. (US) 2009-09-22 US disclosed
US-20090186872-A1 LOXAPINE ANALOGS AND METHODS OF USE THEREOF EDGAR DALE M 2009-07-23 US disclosed
US-7563785-B2 Quetiapine analogs and methods of use thereof HYPNION, INC. (US) 2009-07-21 US disclosed
US-7563785-B2 Quetiapine analogs and methods of use thereof HYPNION, INC. (US) 2009-07-21 US disclosed
US-20090163514-A1 BENZISOXAZOLE PIPERAZINE COMPOUNDS AND METHODS OF USE THEREOF COUGHLIN DANIEL 2009-06-25 US disclosed
US-7524864-B2 Methods of treating sleep disorders HYPNION, INC. (US) 2009-04-28 US disclosed
US-7494998-B2 Benzisoxazole piperazine compounds and methods of use thereof HYPNION, INC. (US) 2009-02-24 US disclosed
US-7494998-B2 Benzisoxazole piperazine compounds and methods of use thereof HYPNION, INC. (US) 2009-02-24 US disclosed
US-7482460-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2009-01-27 US disclosed
US-7482460-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2009-01-27 US disclosed
US-20080214539-A1 Benzisoxazole Piperidine Compounds and Methods of Use Thereof HYPNION, INC. 2008-09-04 US disclosed
US-20070043021-A1 derivatives of 2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine for modulating sleep disorder; side effect reduction HYPNION, INC. 2007-02-22 US disclosed
US-20070004752-A1 Benzisoxazole piperazine compounds and methods of use thereof HYPNION, INC. 2007-01-04 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 (5 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-20070043021-A1 derivatives of 2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine for modulating sleep disorder; side effect reduction GABRB3, GRIN2C, GABRB2 ALDH1A1 1166/4885POLB 4336/4885LMNA 3074/4885
US-20080214539-A1 Benzisoxazole Piperidine Compounds and Methods of Use Thereof GABRA5, GABRE, HCRTR2 ALDH1A1 1099/4885POLB 2394/4885LMNA 1104/4885
US-20070004752-A1 Benzisoxazole piperazine compounds and methods of use thereof GABRA5, HCRTR2, HCRTR1 ALDH1A1 1540/4885POLB 2962/4885LMNA 1382/4885
US-20090163514-A1 BENZISOXAZOLE PIPERAZINE COMPOUNDS AND METHODS OF USE THEREOF GABRA5, HCRTR2, HCRTR1 ALDH1A1 1540/4885POLB 2962/4885LMNA 1382/4885
US-20090186872-A1 LOXAPINE ANALOGS AND METHODS OF USE THEREOF HCRTR2, HCRTR1, HTR3B ALDH1A1 1642/4885POLB 4176/4885LMNA 195/4885

“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.