SCHEMBL13037517

SCHEMBL13037517

CC(=O)C1CCCCCN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
PRCP P42785 1/20 0.39
DPP4 P27487 4/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
SCN4A P35499 1/20 0.37
HTR2B P41595 2/20 0.36
HTR2C P28335 1/20 0.36
FDPS P14324 1/20 0.36
FAP Q12884 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
CYP2D6 P10635 2/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35

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
SCHEMBL19415048 1.00 NOS2 (0.40) NOS2NOS3NOS1PRCPDPP4
SCHEMBL12513402 0.98
SCHEMBL3958779 0.98
SCHEMBL464411 0.98
SCHEMBL464469 0.98
Hydrochloric Acid SCHEMBL31491221 0.95 NOS2 (0.40) NOS2NOS3NOS1PRCPDPP4
SCHEMBL805293 0.91
SCHEMBL5696888 0.91
SCHEMBL809387 0.91
Hydrochloric Acid SCHEMBL933987 0.88

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-20100298285-A1 Biclycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2010-11-25 US disclosed
US-20100298285-A1 Biclycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2010-11-25 US disclosed
WO-2007109182-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed
CN-1084169-A New phenylpyrrole derivative and its production and use SMITHKLINE BEECHAM PLC (GB) 1994-03-23 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-20100298285-A1 Biclycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX1 NOS2 2280/4885NOS3 1820/4885NOS1 2507/4885

“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.