SCHEMBL5228652

SCHEMBL5228652

CC(C)CN[C@@H](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
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
SCHEMBL5471668 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998007653-A1 CHIRAL HYDRIDE COMPLEXES ZEELAND CHEMICALS, INC. (US) 1998-02-26 WO claimed
US-11548870-B2 Compounds useful as inhibitors of helios protein BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-10 US disclosed
US-20210147383-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN BRISTOL-MYERS SQUIBB COMPANY 2021-05-20 US disclosed
WO-2012155042-A2 NOVEL BORATE DERIVATIVES AND THEIR APPLICATIONS ANDERSON DEVELOPMENT COMPANY (US) 2012-11-15 WO disclosed
US-20120289733-A1 NOVEL BORATE DERIVATIVES AND THEIR APPLICATIONS ANDERSON DEVELOPMENT COMPANY (US) 2012-11-15 US disclosed
CN-100558701-C N-(2-phenylethyl) sulfone amide derivative as integrin alpha 4 antagonists ALMIRALL PRODESFARMA SA (ES) 2009-11-11 CN disclosed
EP-1622867-B1 N-(2-PHENYLETHYL)SULFAMIDE DERIVATIVES AS INTEGRIN ALPHA4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-19 EP disclosed
US-20070179183-A1 N-(2-phenylethyl)sulfamide derivatives as integrin alpha4 antagonists ALMIRALL, S.A. (ES) 2007-08-02 US disclosed
CN-1816523-A N-(2-phenylethyl)sulfamide derivatives as integrin alpha4 antagonists ALMIRALL PRODESFARMA SA (ES) 2006-08-09 CN disclosed
EP-1577294-A1 S-SUBSTITUTED N-1- (HETERO)ARYL ALKYL-N - (HETERO)ARYL ALKYLYSOTHIOCARBAMIDES, METHOD FOR THE PRODUCTION THEREOF, PHYSIOLOGICALLY ACTIVE S-SUBSTITUTED N-1- (HETERO )ARYL ALKYL-N - (HETERO)ARYL ALKYLYSOTHIOCARBAMIDES,A PHARMACEUTICAL COMPOUND AND CURING METHOD Institut Fiziologicheski Aktivnykh Veschestv Rossiyskov Akademii Nauk (RU) 2005-09-21 EP disclosed
US-6090950-A Chiral hydride complexes ZEELAND CHEMICALS, INC. (US) 2000-07-18 US disclosed
WO-1998007653-A1 CHIRAL HYDRIDE COMPLEXES ZEELAND CHEMICALS, INC. (US) 1998-02-26 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 (4 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-20210147383-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN IKZF2, RPL6, HNRNPR APAF1 2511/4885CYP3A4 4494/4885CHRM2 4680/4885
US-20070179183-A1 N-(2-phenylethyl)sulfamide derivatives as integrin alpha4 antagonists ITGA4, ITGB4, ITGA2 APAF1 4176/4885CYP3A4 673/4885CHRM2 1300/4885
US-20120289733-A1 NOVEL BORATE DERIVATIVES AND THEIR APPLICATIONS BRS3, BRSK1, CA4 APAF1 2999/4885CYP3A4 1749/4885CHRM2 3313/4885
US-11548870-B2 Compounds useful as inhibitors of helios protein IKZF2, RPL6, HNRNPR APAF1 2511/4885CYP3A4 4494/4885CHRM2 4680/4885

“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.