SCHEMBL469438

SCHEMBL469438

CC(C)CNC(=O)c1cc(C(C)(C)C)no1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.48
HPGD P15428 5/20 0.48
ALDH1A1 P00352 2/20 0.46
CNR2 P34972 1/20 0.44
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.42
HDAC4 P56524 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK14 Q16539 1/20 0.39
MLYCD O95822 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL26213650 0.83 RAB9A (0.51) RAB9AHPGDALDH1A1NPC1SMN1; SMN2
SCHEMBL15121201 0.83 POLB (0.50) RAB9AALDH1A1CNR2NPC1POLB
SCHEMBL15120352 0.82 POLB (0.45) RAB9AALDH1A1CNR2NPC1SMN1; SMN2
SCHEMBL15121178 0.81 POLB (0.68) RAB9AHPGDALDH1A1NPC1SMN1; SMN2
SCHEMBL19886210 0.80 ALDH1A1 (0.49) RAB9AHPGDALDH1A1CNR2NPC1
SCHEMBL12747057 0.80 ALDH1A1 (0.47) RAB9AALDH1A1CNR2NPC1POLB
SCHEMBL18407336 0.76 ALDH1A1 (0.47) ALDH1A1CNR2POLBMAPK14
SCHEMBL17660276 0.75 RAB9A (0.59) RAB9AHPGDALDH1A1NPC1SMN1; SMN2
SCHEMBL351579 0.72 HCAR2 (0.57) RAB9AALDH1A1CNR2NPC1KMT2A
SCHEMBL352449 0.71 ALDH1A1 (0.49) RAB9AALDH1A1CNR2NPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 US disclosed
US-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-09 US disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 US disclosed
WO-2012012307-A9 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-15 WO disclosed
WO-2012012307-A1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-26 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 (3 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-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LYN RAB9A 1796/4885HPGD 3809/4885ALDH1A1 4687/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN RAB9A 1888/4885HPGD 3953/4885ALDH1A1 4730/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN RAB9A 1796/4885HPGD 3809/4885ALDH1A1 4687/4885

“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.