SCHEMBL16238686

SCHEMBL16238686

CC(C)(C)OC(=O)N1CCCCC1C(=O)Nc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
NPSR1 Q6W5P4 2/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.48
JAK2 O60674 2/20 0.47
RAB9A P51151 1/20 0.47
USP30 Q70CQ3 1/20 0.46
AR P10275 1/20 0.46
RHOC P08134 1/20 0.46
RHOA P61586 1/20 0.46
WNT3 P56703 2/20 0.45
SFRP1 Q8N474 2/20 0.45
JAK3 P52333 1/20 0.44

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
SCHEMBL13257803 1.00 NPC1 (0.60) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL9892820 0.93 NPC1 (0.55) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL13257804 0.92 NPC1 (0.60) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL16238432 0.92 NPC1 (0.60) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL17474769 0.88 NPC1 (0.66) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL29639973 0.87 NPC1 (0.71) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL28576768 0.87 NPC1 (0.61) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL29639985 0.86 NPC1 (0.63) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL9892925 0.85 NPC1 (0.55) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL38659322 0.84 NPC1 (0.61) NPC1MEN1KMT2ANPSR1LMNA

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-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 NPC1 1779/4885MEN1 4853/4885KMT2A 3143/4885

“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.