SCHEMBL3106566

SCHEMBL3106566

CC(C)Oc1cccc(-c2ccc(C(CN3CCCC3)NC(=O)CN)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
ROCK2 O75116 5/20 0.44
ROCK1 Q13464 5/20 0.44
GPR88 Q9GZN0 1/20 0.44
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPN5 P54829 1/20 0.40
BACE1 P56817 1/20 0.38
NPC1 O15118 1/20 0.38
SLC13A5 Q86YT5 1/20 0.38
NR4A2 P43354 1/20 0.38
DHODH Q02127 1/20 0.38

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
SCHEMBL2945299 0.70 UTS2R (0.48) ROCK2ROCK1
SCHEMBL2567825 0.67 RXRA (0.60) FFAR4RXRARXRBPTPN5BACE1
SCHEMBL28128070 0.67 NPC1 (0.55) ROCK2ROCK1GPR88MEN1HTT
SCHEMBL10434764 0.67 NPC1 (0.55) ROCK2ROCK1GPR88MEN1HTT
SCHEMBL4940582 0.67 OPRK1 (0.49) MEN1KMT2A
SCHEMBL6670243 0.66 FFAR1 (0.46) MEN1KMT2A
SCHEMBL6667661 0.66 FFAR1 (0.46) MEN1KMT2A
SCHEMBL18413066 0.66 OPRK1 (0.56) GPR88MEN1HTTKMT2ANPC1
Hydrochloric Acid SCHEMBL7177344 0.65 FFAR1 (0.45)
Hydrochloric Acid SCHEMBL7172249 0.65 FFAR1 (0.45) MEN1KMT2A

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-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS GOODMAN KRISTA B 2010-10-07 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-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS UTS2R, AVPR2, VIPR2 FFAR4 2880/4885RXRA 2908/4885RXRB 2317/4885

“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.