SCHEMBL1852828

SCHEMBL1852828

CCCC(=O)Nc1ccc(C)cn1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.64
MAPT P10636 4/20 0.64
NPC1 O15118 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.59
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 1/20 0.58
GAA P10253 1/20 0.57
GLA P06280 1/20 0.56
MAPK1 P28482 1/20 0.56
DEGS1 O15121 1/20 0.56
MEN1 O00255 1/20 0.56
TP53 P04637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL1849856 0.90 SMN1; SMN2 (0.73) RAB9AMAPTNPC1SMN1; SMN2L3MBTL1
SCHEMBL1848388 0.89 L3MBTL1 (0.72) RAB9AMAPTNPC1SMN1; SMN2L3MBTL1
SCHEMBL1723416 0.86 RAB9A (0.68) RAB9AMAPTNPC1SMN1; SMN2L3MBTL1
SCHEMBL28154099 0.85 TSHR (0.68) RAB9AMAPTNPC1SMN1; SMN2L3MBTL1
SCHEMBL838607 0.83 RAB9A (0.68) RAB9AMAPTNPC1SMN1; SMN2L3MBTL1
SCHEMBL4775518 0.82 RAB9A (0.83) RAB9AMAPTNPC1SMN1; SMN2L3MBTL1
SCHEMBL13010738 0.82 SMN1; SMN2 (0.57) RAB9AMAPTNPC1SMN1; SMN2L3MBTL1
SCHEMBL22540419 0.82 MAPT (0.59) RAB9AMAPTNPC1SMN1; SMN2L3MBTL1
SCHEMBL17450654 0.81 RAB9A (0.66) RAB9AMAPTNPC1SMN1; SMN2L3MBTL1
SCHEMBL12101150 0.81 RAB9A (0.66) RAB9AMAPTNPC1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3402783-B1 3-(CARBOXYETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-03-04 EP disclosed
US-20180201613-A1 FUSED QUINOLINE COMPUNDS AS PI3K/mTOR INHIBITORS Advenchen Pharmaceuticals, LLC (US) 2018-07-19 US disclosed
US-20170174687-A1 FUSED QUINOLINE COMPUNDS AS PI3K, mTOR INHIBITORS ADVENCHEN PHARMACEUTICALS NANJING LTD (CN) 2017-06-22 US disclosed
CN-102171213-A Pyrazolo [3, 4] pyrimidin-4-yl derivatives and their uses to treat diabetes and obesity ASTRAZENECA AB 2011-08-31 CN disclosed
EP-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 EP disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 WO 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-20170174687-A1 FUSED QUINOLINE COMPUNDS AS PI3K, mTOR INHIBITORS MTOR, RICTOR, PIK3CA RAB9A 168/4885MAPT 1744/4885NPC1 1601/4885
US-20180201613-A1 FUSED QUINOLINE COMPUNDS AS PI3K/mTOR INHIBITORS MTOR, RICTOR, PIK3CA RAB9A 217/4885MAPT 1748/4885NPC1 1623/4885

“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.