SCHEMBL92833

SCHEMBL92833

CCC(=O)NS(=O)(=O)N1CCN(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HTR1A P08908 1/20 0.35
TSHR P16473 1/20 0.35
USP2 O75604 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL16508788 0.85 MAPT (0.43) SMN1; SMN2ALDH1A1POLBKMT2AGAA
Hydrochloric Acid SCHEMBL7085128 0.77 POLB (0.39) CYP2C9LMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL16508842 0.75 TP53 (0.38) SMN1; SMN2ALDH1A1TSHRGAA
SCHEMBL13712256 0.74 CYP1A2 (0.38) LMNASMN1; SMN2ALDH1A1TSHRPOLB
SCHEMBL85218 0.74 ALDH1A1 (0.44) LMNASMN1; SMN2ALDH1A1TSHRPOLB
SCHEMBL11936225 0.72 SMN1; SMN2 (0.38) CYP2C9SMN1; SMN2ALDH1A1TSHRUSP2
SCHEMBL92824 0.71 HTR2A (0.34) ALDH1A1HTR1ASIGMAR1THRB
SCHEMBL16508866 0.70 MAPT (0.46) LMNASMN1; SMN2ALDH1A1KMT2AGAA
SCHEMBL3936868 0.70 CA12 (0.41) LMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL10281482 0.69 CA1 (0.43) SMN1; SMN2TSHRUSP2POLBKMT2A

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 8 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-7807828-B2 Olanzapine analogs and methods of use thereof HYPNION, INC. (US) 2010-10-05 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-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 (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-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 CYP2C9 872/4885LMNA 3074/4885SMN1; SMN2 3529/4885
US-20080214539-A1 Benzisoxazole Piperidine Compounds and Methods of Use Thereof GABRA5, GABRE, HCRTR2 CYP2C9 143/4885LMNA 1104/4885SMN1; SMN2 2573/4885
US-20070004752-A1 Benzisoxazole piperazine compounds and methods of use thereof GABRA5, HCRTR2, HCRTR1 CYP2C9 304/4885LMNA 1382/4885SMN1; SMN2 2872/4885
US-20090186872-A1 LOXAPINE ANALOGS AND METHODS OF USE THEREOF HCRTR2, HCRTR1, HTR3B CYP2C9 618/4885LMNA 195/4885SMN1; SMN2 2083/4885

“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.