SCHEMBL3963796

SCHEMBL3963796

CCO[C@H](C(=O)O)C(CC)c1ccc(OCC(=O)N(C)Cc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.62
NPC1 O15118 5/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MAPK1 P28482 2/20 0.60
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.53
NPSR1 Q6W5P4 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.46
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
MAOB P27338 1/20 0.43
AOC3 Q16853 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3963025 0.88 TRPM8 (0.63) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL3960796 0.83 TRPM8 (0.48) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL3956812 0.81 PPARA (0.45) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL3961372 0.81 FFAR1 (0.47) SMN1; SMN2ALDH1A1POLBTRPM8TDP1
SCHEMBL3959641 0.81 TRPM8 (0.46) SMN1; SMN2ALDH1A1TRPM8L3MBTL1
SCHEMBL3963639 0.79 TRPM8 (0.51) RAB9ANPC1ALDH1A1TRPM8
SCHEMBL3960751 0.79 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL3956893 0.79 TP53 (0.50) SMN1; SMN2ALDH1A1TRPM8GAA
SCHEMBL3963786 0.79 FFAR1 (0.49) RAB9ASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL3967726 0.78 ALOX5 (0.42) RAB9ANPC1KMT2AMEN1TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488844-B2 Therapeutic agents ASTRAZENECA AB (SE) 2009-02-10 US disclosed
US-20050282822-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-12-22 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-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP RAB9A 1893/4885NPC1 14/4885SMN1; SMN2 3873/4885

“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.