SCHEMBL519496

SCHEMBL519496

CC(C)(C)OC(=O)N1CCCC(N2CCN(C(=O)OCc3ccccc3)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
TMEM97 Q5BJF2 6/20 0.49
SIGMAR1 Q99720 6/20 0.49
PARP1 P09874 1/20 0.49
HTR1A P08908 2/20 0.49
HRH2 P25021 2/20 0.49
HRH1 P35367 2/20 0.49
HRH3 Q9Y5N1 2/20 0.49
ADRA2C P18825 1/20 0.49
HTT P42858 1/20 0.49
CYP2C19 P33261 1/20 0.48
USP30 Q70CQ3 1/20 0.48
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR2A P28223 1/20 0.47

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
SCHEMBL24480276 0.97 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL31085811 0.94 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9APARP1HTT
SCHEMBL22609548 0.94 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9APARP1HTT
SCHEMBL21069737 0.94 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9APARP1HTT
SCHEMBL29260056 0.94 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9APARP1HTT
SCHEMBL14497257 0.94 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9APARP1HTT
SCHEMBL29267051 0.94 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9APARP1HTT
SCHEMBL26090937 0.91 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL21458909 0.90 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL21876995 0.90 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025080788-A1 CCR4 INHIBITORS AND METHODS OF USE THEREOF RAYTHERA, INC. (US) 2025-04-17 WO disclosed
US-20240050428-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-15 US disclosed
CN-116583509-A Compounds and methods for treating cancer 上海睿跃生物科技有限公司 2023-08-11 CN disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO 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 (2 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-20240050428-A1 COMPOUNDS AND METHODS OF TREATING CANCERS GSPT1, GGT1, VHL SMN1; SMN2 2527/4885NPC1 716/4885RAB9A 2065/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 SMN1; SMN2 4722/4885NPC1 3543/4885RAB9A 3888/4885

“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.