SCHEMBL13656349

SCHEMBL13656349

CC(C)(C)CCN1CCC[C@H]1CO

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 5/20 0.46
SPHK1 Q9NYA1 5/20 0.46
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PARP1 P09874 1/20 0.37
HRH3 Q9Y5N1 6/20 0.36
ARG1 P05089 2/20 0.35
ARG2 P78540 2/20 0.35
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
S1PR5 Q9H228 2/20 0.35
S1PR4 O95977 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL13656348 1.00 SPHK2 (0.46) SPHK2SPHK1POLBL3MBTL1PARP1
SCHEMBL8136699 1.00 SPHK2 (0.46) SPHK2SPHK1POLBL3MBTL1PARP1
SCHEMBL13683452 0.95 SPHK2 (0.41) SPHK2SPHK1POLBL3MBTL1PARP1
SCHEMBL12391783 0.84 SPHK2 (0.43) SPHK2SPHK1HRH3S1PR1S1PR3
SCHEMBL8136742 0.83 ATM (0.36) SPHK2SPHK1HRH3ARG1ARG2
SCHEMBL13683454 0.81 HTT (0.41) SPHK2SPHK1ARG1ARG2S1PR1
SCHEMBL12156688 0.81 POLB (0.42) SPHK2SPHK1POLBL3MBTL1PARP1
SCHEMBL12891024 0.81 POLB (0.42) SPHK2SPHK1POLBL3MBTL1PARP1
SCHEMBL12891026 0.81 POLB (0.42) SPHK2SPHK1POLBL3MBTL1PARP1
SCHEMBL13965733 0.80 OPRD1 (0.50) HRH3ARG1ARG2S1PR1S1PR3

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-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US disclosed
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 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-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS SPHK2 3409/4885SPHK1 3303/4885POLB 1461/4885

“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.