SCHEMBL29342015

SCHEMBL29342015

CC(C)Cn1nnc2ccc(F)cc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.44
HTR2C P28335 4/20 0.42
HTR2A P28223 3/20 0.42
APAF1 O14727 1/20 0.42
POLB P06746 1/20 0.42
GPR139 Q6DWJ6 2/20 0.38
SLC9A1 P19634 1/20 0.38
AR P10275 1/20 0.38
MAPK14 Q16539 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDO2 P48775 1/20 0.36

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
SCHEMBL29342016 0.87 GRM2 (0.44) GRM2HTR2CHTR2AAPAF1POLB
SCHEMBL19848373 0.81 SLC9A1 (0.58) GRM2SLC9A1ARNPC1RAB9A
SCHEMBL19911631 0.81 GRM2 (0.47) GRM2HTR2CHTR2APOLBSLC9A1
SCHEMBL19911629 0.79 SLC9A1 (0.60) GRM2POLBSLC9A1NPC1RAB9A
SCHEMBL19848709 0.78 HDAC3 (0.45) GRM2HTR2CHTR2AAPAF1POLB
SCHEMBL19848606 0.77 GRM2 (0.42) GRM2POLBGPR139SLC9A1AR
SCHEMBL29342227 0.77 MAPT (0.44) GRM2APAF1POLBSLC9A1
SCHEMBL19848592 0.76 SLC9A1 (0.62) GRM2SLC9A1SMN1; SMN2TDO2
SCHEMBL7716431 0.76 APAF1 (0.67) GRM2APAF1POLBSLC9A1NPC1
SCHEMBL19848372 0.75 MAPK14 (0.58) MAPK14SMN1; SMN2

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-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE THE CLEVELAND CLINIC FOUNDATION 2024-07-18 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-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE ACE2, ACE, TMPRSS2 GRM2 3597/4885HTR2C 1125/4885HTR2A 2198/4885

“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.