SCHEMBL25539221

SCHEMBL25539221

Cc1ccnc(CCc2nc3ccc(C)cc3n2C)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.46
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
MAPT P10636 1/20 0.42
PPARG P37231 1/20 0.42
NTRK1 P04629 2/20 0.40
IKBKB O14920 1/20 0.39
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
NTRK2 Q16620 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL24816122 0.78 NPC1 (0.47) NPC1RAB9AMAPTPPARGNTRK1
SCHEMBL23638356 0.78 NPC1 (0.47) PDE10ANPC1RAB9AMAPTPPARG
SCHEMBL23638355 0.74 NPC1 (0.44) NPC1RAB9AMAPTPPARGNTRK1
SCHEMBL23638515 0.74 RAB9A (0.49) NPC1RAB9AMAPTPPARGNTRK1
SCHEMBL13777230 0.74 RAB9A (0.49) NPC1RAB9AMAPTPPARGSMN1; SMN2
SCHEMBL24329944 0.74 NPC1 (0.49) NPC1RAB9AMAPTPPARGIKBKB
SCHEMBL23638381 0.74 MAPT (0.47) PDE10ANPC1RAB9AMAPTPPARG
SCHEMBL24816119 0.72 MAPT (0.53) NPC1RAB9AMAPTPPARGSMN1; SMN2
SCHEMBL23638286 0.72 NPC1 (0.47) NPC1RAB9AMAPTPPARGSMN1; SMN2
SCHEMBL25539217 0.72 TP53 (0.50) NPC1RAB9AMAPTPPARGNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165846-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. 2023-06-01 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-20230165846-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR PDE10A 81/4885NPC1 1541/4885RAB9A 1124/4885

“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.