SCHEMBL4919644

SCHEMBL4919644

CC(C)(C)CNc1nc(-c2ccc(CNc3c(Cl)ccc4c3CCNCC4C(CC(=O)O)C(=O)O)cc2)cs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
ROCK2 O75116 3/20 0.32
ROCK1 Q13464 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ABL1 P00519 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
P2RY1 P47900 1/20 0.31
ITGB3 P05106 3/20 0.31
ITGA2B P08514 3/20 0.31
CHEK1 O14757 1/20 0.30

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
SCHEMBL4927106 0.92 ALDH1A1 (0.42) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL4927742 0.89 MAPT (0.34) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL4923068 0.88 LMNA (0.33) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL4929293 0.82 CCNK (0.34)
Succinic Acid SCHEMBL2586664 0.81 ALDH1A1 (0.40) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL4243952 0.80 FFAR1 (0.30)
SCHEMBL12175430 0.78 MAPT (0.38) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL4928912 0.77 HRH3 (0.34) LMNAGAAHDAC1HDAC8
SCHEMBL13685707 0.76 CLK4 (0.35) ALDH1A1DYRK1ACLK4HSD17B10
SCHEMBL4932373 0.76 HRH3 (0.35) ALDH1A1GAAKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-30 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 (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-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A RAB9A 2004/4885ALDH1A1 397/4885MAPT 4626/4885

“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.