SCHEMBL26217022

SCHEMBL26217022

CC(C)CNC(C)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.63
CYP3A4 P08684 2/20 0.59
CHRM2 P08172 1/20 0.59
HTR1A P08908 1/20 0.59
ADRA2A P08913 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CHRM1 P11229 1/20 0.59
SMPD1 P17405 1/20 0.59
DRD1 P21728 1/20 0.59
TBXA2R P21731 1/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A4 P31645 1/20 0.59
ADRA1A P35348 1/20 0.59
OPRM1 P35372 1/20 0.59
DRD3 P35462 1/20 0.59
CASR P41180 1/20 0.59
HTR2B P41595 1/20 0.59
SLC6A3 Q01959 1/20 0.59
KCNH2 Q12809 1/20 0.59
LMNA P02545 1/20 0.59

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
SCHEMBL5227140 1.00 APAF1 (0.63) APAF1CYP3A4CHRM2HTR1AADRA2A
SCHEMBL5228652 1.00 APAF1 (0.63) APAF1CYP3A4CHRM2HTR1AADRA2A
SCHEMBL7792066 0.84 APAF1 (0.61) APAF1CYP3A4CHRM2HTR1AADRA2A
SCHEMBL30285806 0.83 APAF1 (0.65) APAF1CYP3A4CHRM2HTR1AADRA2A
SCHEMBL8090952 0.83 APAF1 (0.65) APAF1CYP3A4CHRM2HTR1AADRA2A
SCHEMBL8090949 0.83 APAF1 (0.65) APAF1CYP3A4CHRM2HTR1AADRA2A
SCHEMBL17509718 0.83 ANPEP (0.62) APAF1CYP3A4CHRM2HTR1AADRA2A
SCHEMBL24406703 0.81 CYP3A4 (0.76) APAF1CYP3A4CHRM2HTR1AADRA2A
SCHEMBL3881699 0.81 CYP3A4 (0.76) APAF1CYP3A4CHRM2HTR1AADRA2A
SCHEMBL3881700 0.81 CYP3A4 (0.76) APAF1CYP3A4CHRM2HTR1AADRA2A

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-20250136594-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2025-05-01 US disclosed
EP-4469438-A1 COMPOUNDS AND METHODS OF USE Tango Therapeutics, Inc. (US) 2024-12-04 EP disclosed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
CN-100558701-C N-(2-phenylethyl) sulfone amide derivative as integrin alpha 4 antagonists ALMIRALL PRODESFARMA SA (ES) 2009-11-11 CN disclosed
CN-1816523-A N-(2-phenylethyl)sulfamide derivatives as integrin alpha4 antagonists ALMIRALL PRODESFARMA SA (ES) 2006-08-09 CN 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-20250136594-A1 COMPOUNDS AND METHODS OF USE CNKSR1, UGT1A1, REV1 APAF1 2600/4885CYP3A4 100/4885CHRM2 1738/4885

“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.