SCHEMBL3348190

SCHEMBL3348190

COC(=O)c1cc(C(=O)OC)cc(N2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ HSD17B10 Q99714 3/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ MAPT P10636 5/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ LMNA P02545 2/20 0.55
▸ DRD4 P21917 1/20 0.55
▸ HTR2A P28223 1/20 0.53
▸ HTR2C P28335 1/20 0.53
▸ HTR2B P41595 1/20 0.53
▸ TSHR P16473 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ TP53 P04637 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
SCHEMBL7388920 0.90 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1HSD17B10SMN1; SMN2
SCHEMBL4653292 0.88 MAPT (0.66) ALDH1A1KMT2AMEN1HSD17B10SMN1; SMN2
SCHEMBL27040179 0.85 HTR7 (0.62) ALDH1A1KMT2AMEN1HSD17B10SMN1; SMN2
SCHEMBL3134694 0.80 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL7364367 0.80 PRMT1 (0.64) ALDH1A1KMT2AMEN1HSD17B10SMN1; SMN2
SCHEMBL3957492 0.80 HDAC6 (0.57) ALDH1A1KMT2AMEN1HSD17B10SMN1; SMN2
SCHEMBL23013506 0.78 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1HSD17B10SMN1; SMN2
SCHEMBL9210414 0.78 KMT2A (0.72) ALDH1A1KMT2AMEN1HSD17B10SMN1; SMN2
SCHEMBL6707329 0.78 PRMT1 (0.67) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL13149362 0.77 MEN1 (0.70) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 — — US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 — — US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 — — US disclosed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 — — 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-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 ALDH1A1 527/4885KMT2A 3899/4885MEN1 2250/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP ALDH1A1 2133/4885KMT2A 4650/4885MEN1 2356/4885

“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.

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