SCHEMBL4890247

SCHEMBL4890247

CC(C)(C)c1ccc2c(c1)C1(CCN(C(=O)OCc3ccccc3)CC1)CN2C(=O)c1c(F)cccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NPC1L1 Q9UHC9 1/20 0.45
XIAP P98170 1/20 0.44
BIRC2 Q13490 1/20 0.44
P2RY1 P47900 1/20 0.42
RORC P51449 7/20 0.41
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
CTSD P07339 1/20 0.40
BACE1 P56817 1/20 0.40
ENPP2 Q13822 2/20 0.40
ATXN2 Q99700 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TACR1 P25103 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL20955202 0.81 XIAP (0.46) HDAC1HDAC8HDAC6NPC1L1XIAP
SCHEMBL4890372 0.80 P2RY1 (0.37) HDAC1HDAC6P2RY1RORC
Trifluoroacetic Acid SCHEMBL4762245 0.78 P2RY1 (0.37) HDAC1HDAC6P2RY1TACR1
SCHEMBL4893251 0.78 P2RY1 (0.36) HDAC1HDAC6P2RY1RORC
SCHEMBL4821789 0.78 P2RY1 (0.39) HDAC1HDAC6P2RY1RORC
SCHEMBL4881720 0.78 NOTUM (0.38) RORCBACE1NPSR1TACR1RAB9A
SCHEMBL2625791 0.77 HDAC1 (0.50) HDAC1HDAC8HDAC6XIAPBIRC2
SCHEMBL4974614 0.77 HDAC1 (0.50) HDAC1HDAC8HDAC6XIAPBIRC2
Trifluoroacetic Acid SCHEMBL4761896 0.77 OPRM1 (0.36) HDAC1HDAC6P2RY1TACR1
SCHEMBL5579105 0.77 OPRM1 (0.42) P2RY1

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-20080200491-A1 1,2-Dihydro-Spiro[3H-Indole-3,4'-Piperidine] Compounds, as Modulators of the Mas Receptor Novel ARENA PHARMACEUTICALS, INC. 2008-08-21 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-20080200491-A1 1,2-Dihydro-Spiro[3H-Indole-3,4'-Piperidine] Compounds, as Modulators of the Mas Receptor Novel AGTR1, AGTR2, AVPR2 HDAC1 418/4885HDAC8 1226/4885HDAC6 835/4885

“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.