SCHEMBL3860784

SCHEMBL3860784

CC(N)NCCSCC[C@H](N)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 11/20 0.62
BHMT2 Q9H2M3 1/20 0.62
NOS2 P35228 2/20 0.53
NOS3 P29474 1/20 0.53
NOS1 P29475 1/20 0.53

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
SCHEMBL3860789 1.00 BHMT (0.62) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL19346123 0.84 ARG1 (0.51) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL21851894 0.81 BHMT (0.76) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL27791649 0.81 BHMT (0.76) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL1031686 0.81 BHMT (0.76) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL1031684 0.81 BHMT (0.76) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL19800803 0.80 BHMT (0.72) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL19800800 0.80 BHMT (0.72) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL28352319 0.79 TSHR (0.62) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL28352320 0.79 TSHR (0.62) BHMTBHMT2NOS2NOS3NOS1

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
CN-107427576-A Dosing regimens for MAdCAM antagonists 辉瑞公司 2017-12-01 CN disclosed
CN-105873943-A Fusion proteins 利维塞普特有限公司 2016-08-17 CN disclosed
US-7547714-B2 (4 beta S,7R,8 alpha R)-4 beta -benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4 beta ,5,6,7,8,8 alpha ,9,10-octahydrophenanthrene-2-carboxamide; glucocorticoid receptor modulators; antiinflammatory agents; Alzheimer's disease PFIZER, INC. (US) 2009-06-16 US disclosed
US-20080312294-A1 (4 beta S,7R,8 alpha R)-4 beta -benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4 beta ,5,6,7,8,8 alpha ,9,10-octahydrophenanthrene-2-carboxamide; glucocorticoid receptor modulators; antiinflammatory agents; Alzheimer's disease; side effect reduction PFIZER, INC. (US) 2008-12-18 US disclosed
CN-101065355-A N- [ (3s)- pyrrolidin-3-yl]- benzamide derivatives as monoamine re-uptake inhibitors PFIZER (US) 2007-10-31 CN 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 (1 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-20080312294-A1 (4 beta S,7R,8 alpha R)-4 beta -benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4 beta ,5,6,7,8,8 alpha ,9,10-octahydrophenanthrene-2-carboxamide; glucocorticoid receptor modulators; antiinflammatory agents; Alzheimer's disease; side effect reduction NR3C1, NR3C2, MC2R BHMT 874/4885BHMT2 695/4885NOS2 1247/4885

“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.