SCHEMBL29342016

SCHEMBL29342016

CC(C)Cn1nnc2cc(F)ccc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.44
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
APAF1 O14727 1/20 0.42
POLB P06746 1/20 0.42
HCAR3 P49019 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNMA1 Q12791 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SLC9A1 P19634 1/20 0.38
AR P10275 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL29342015 0.87 GRM2 (0.44) GRM2HTR2AHTR2CAPAF1POLB
SCHEMBL19911624 0.81 GRM2 (0.47) GRM2HTR2AHTR2CHCAR3KCNMA1
SCHEMBL18323591 0.81 HCAR3 (0.58) GRM2POLBHCAR3NPC1RAB9A
SCHEMBL19848301 0.79 HCAR3 (0.60) GRM2POLBHCAR3ALDH1A1SLC9A1
SCHEMBL19848324 0.77 HCAR3 (0.45) GRM2POLBHCAR3NPC1RAB9A
SCHEMBL19848730 0.76 SLC9A1 (0.62) GRM2HCAR3SMN1; SMN2ALDH1A1SLC9A1
SCHEMBL7716431 0.76 APAF1 (0.67) GRM2APAF1POLBNPC1RAB9A
SCHEMBL23084792 0.76 HCAR3 (0.72) APAF1POLBHCAR3
SCHEMBL19911617 0.75 HCAR3 (0.58) HTR2AHTR2CHCAR3SMN1; SMN2KCNMA1
SCHEMBL19848744 0.74 GRM2 (0.42) GRM2HCAR3RAB9ASMN1; SMN2KCNMA1

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 3597/4885HTR2A 2198/4885HTR2C 1125/4885

“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.