SCHEMBL4591071

SCHEMBL4591071

CC(=O)Nc1ccc2c(c1)CCN(C)CC2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MAOA P21397 2/20 0.53
CYP1A2 P05177 1/20 0.53
ADRA2A P08913 1/20 0.53
SLC6A2 P23975 1/20 0.53
HTR2C P28335 1/20 0.53
SLC6A4 P31645 1/20 0.53
HTR2B P41595 1/20 0.53
BAZ2B Q9UIF8 1/20 0.51
HTR1A P08908 1/20 0.51
HTR2A P28223 1/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ACLY P53396 1/20 0.49
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49

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
SCHEMBL29119510 0.94 BAZ2B (0.54) NPC1RAB9ABAZ2BALDH1A1KDM4E
SCHEMBL2248318 0.94 ACLY (0.53) NPC1RAB9AMAOACYP1A2ADRA2A
SCHEMBL4072601 0.85 HTR1A (0.52) NPC1RAB9AHTR1AALDH1A1KDM4E
SCHEMBL29119496 0.84 MLNR (0.51) NPC1RAB9AMAOACYP1A2ADRA2A
SCHEMBL1673429 0.84 BAZ2B (0.69) NPC1RAB9ABAZ2BALDH1A1POLB
SCHEMBL2245582 0.84 BAZ2B (0.64) NPC1RAB9AMAOACYP1A2ADRA2A
Hydrochloric Acid SCHEMBL8128910 0.84 NPC1 (0.53) NPC1RAB9ACYP1A2HTR1AHTR2A
SCHEMBL29119487 0.83 HRH3 (0.59) NPC1RAB9AMAOACYP1A2ADRA2A
SCHEMBL2244056 0.83 BAZ2B (0.67) NPC1RAB9AMAOACYP1A2ADRA2A
SCHEMBL3652815 0.83 NPC1 (0.49) NPC1RAB9AMAOAALDH1A1POLB

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
CN-116888127-A Tri-fused ring HPK1 inhibitor and application thereof 轩竹生物科技股份有限公司 2023-10-13 CN disclosed
WO-2022188823-A1 TRICYCLIC HPK1 INHIBITOR AND USE THEREOF 山东轩竹医药科技有限公司 2022-09-15 WO disclosed
EP-1910345-A1 SUBSTITUTED AMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Boehringer Ingelheim International GmbH (DE) 2008-04-16 EP disclosed
US-20070032473-A1 Substituted amides and their use as medicaments GERLACH KAI 2007-02-08 US disclosed
WO-2007009963-A1 SUBSTITUTED AMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-25 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 (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-20070032473-A1 Substituted amides and their use as medicaments OAT, HLA-B, BCAT2 NPC1 2269/4885RAB9A 4519/4885MAOA 297/4885

“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.