SCHEMBL4622994

SCHEMBL4622994

CC(C)(C#N)c1ccc(C(=O)CCCBr)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.40
RAB9A P51151 4/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
HSD17B3 P37058 7/20 0.39
GSK3B P49841 2/20 0.39
PTPN1 P18031 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HTR7 P34969 1/20 0.38
MAPT P10636 1/20 0.37
CYP2J2 P51589 1/20 0.37
MLNR O43193 1/20 0.37
NR1I2 O75469 1/20 0.37
EGFR P00533 1/20 0.37
LMNA P02545 1/20 0.37
ERBB2 P04626 1/20 0.37
FYN P06241 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 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
SCHEMBL4622521 0.86 NPC1 (0.41) NPC1RAB9AHSD17B3HDAC1HDAC8
SCHEMBL19754953 0.86 HSD17B3 (0.56) NPC1RAB9ATHRATHRBHSD17B3
SCHEMBL4621264 0.85 NPC1 (0.40) NPC1RAB9AHSD17B3HDAC1HDAC8
SCHEMBL3672211 0.85 NPC1 (0.41) NPC1RAB9AHSD17B3HDAC1HDAC8
SCHEMBL2762922 0.78 NPC1 (0.42) NPC1RAB9ATHRATHRBHSD17B3
SCHEMBL3680703 0.78 NPC1 (0.42) NPC1RAB9ATHRATHRBHSD17B3
SCHEMBL10471647 0.78 MAPT (0.53) NPC1RAB9ATHRATHRBHSD17B3
SCHEMBL4686360 0.75 ALDH1A1 (0.43) NPC1RAB9ATHRATHRBHSD17B3
SCHEMBL11277802 0.73 GSK3B (0.64) NPC1RAB9ATHRATHRBHSD17B3
SCHEMBL307335 0.73 EPHX2 (0.44) RAB9AHDAC1MAPTLMNARORC

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
EP-1307423-B1 PROCESSES FOR THE PRODUCTION OF FEXOFENADINE TEXCONTOR ETS (LI) 2008-03-19 EP disclosed
US-7176318-B2 Processes for the production of fexofenadine TEXCONTOR ESTABLISSEMENT (LI) 2007-02-13 US disclosed
US-20030166682-A1 Processes for the production of fexofenadine TEXCONTOR ETABLISSEMENT (LI) 2003-09-04 US disclosed
EP-1307423-A1 NEW PROCESSES FOR THE PRODUCTION OF FEXOFENADINE Texcontor Etablissement (LI) 2003-05-07 EP disclosed
WO-2002010115-A1 NEW PROCESSES FOR THE PRODUCTION OF FEXOFENADINE TEXCONTOR ETABLISSEMENT (LI) 2002-02-07 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 (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-20030166682-A1 Processes for the production of fexofenadine AOC1, COX6C, AOC3 NPC1 3218/4885RAB9A 849/4885THRA 2948/4885

“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.