SCHEMBL3174261

SCHEMBL3174261

C[C@H]1C(=O)N(CCCN2CCC[C@H]2CO)CCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
SPHK1 Q9NYA1 6/20 0.39
SPHK2 Q9NRA0 5/20 0.39
OPRD1 P41143 3/20 0.38
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PARP1 P09874 1/20 0.35
TERT O14746 1/20 0.34
PNP P00491 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL3174275 1.00 HRH3 (0.40) HRH3SPHK1SPHK2OPRD1POLB
SCHEMBL1341604 0.85 HRH3 (0.39) HRH3SPHK1SPHK2OPRD1
SCHEMBL1341603 0.85 HRH3 (0.39) HRH3SPHK1SPHK2OPRD1
SCHEMBL3164195 0.79 ALDH1A1 (0.37) OPRD1POLB
SCHEMBL3164203 0.79 ALDH1A1 (0.37) OPRD1POLB
SCHEMBL1342058 0.79 LMNA (0.42) HRH3SPHK1SPHK2PARP1LMNA
SCHEMBL1342060 0.79 LMNA (0.42) HRH3SPHK1SPHK2PARP1LMNA
SCHEMBL1342061 0.79 LMNA (0.42) HRH3SPHK1SPHK2PARP1LMNA
SCHEMBL1570996 0.78 CCR2 (0.42) POLBTERTLMNA
SCHEMBL1569345 0.77 CYP1A2 (0.41) HRH3POLBL3MBTL1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071586-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2011-12-06 US disclosed
WO-2010006938-A1 NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO disclosed
US-20100016282-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-21 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-20100016282-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR5 HRH3 129/4885SPHK1 1015/4885SPHK2 1038/4885

“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.